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  • crystal structure  (220)
  • 04. Solid Earth::04.06. Seismology::04.06.05. Historical seismology
  • 04. Solid Earth::04.08. Volcanology::04.08.01. Gases
  • 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
  • Mt. Etna
  • Springer  (239)
  • Springer-Verlag  (6)
  • Copernicus  (2)
  • EGU
  • Essen : Verl. Glückauf
  • Institute of Physics
  • 2010-2014  (28)
  • 1995-1999  (221)
Collection
Keywords
Publisher
Years
Year
  • 1
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    Long-time variation of soil CO2 fluxes at the summit crater of Vulcano (Italy) (2014)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Here, we report the first continuous data of geochemical parameters acquired directly from the active summit crater of Vulcano. This approach provides a means to better investigate deep geochemical processes associated with the degassing system of Vulcano Island. In particular, we report on soil CO2 fluxes from the upper part of Vulcano, a closed-conduit volcano, from September 2007 to October 2010. Large variations in the soil CO2 and plume SO2 fluxes (order of magnitude), coinciding with other discontinuous geochemical parameters (CO2 concentrations in fumarole gas) and physical parameters (increase of shallow seismic activity and fumarole temperatures) have been recorded. The results from this work suggest new prospects for strengthening geochemical monitoring of volcanic activity and for improving the constraints in the construction of a “geochemical model”, this being a necessary condition to better understand the functioning of volcanic systems.
    Description: Published
    Description: 1859-1863
    Description: 2V. Dinamiche di unrest e scenari pre-eruttivi
    Description: 4V. Vulcani e ambiente
    Description: 5V. Sorveglianza vulcanica ed emergenze
    Description: 1R. Reti di monitoraggio e Osservazioni
    Description: JCR Journal
    Description: restricted
    Keywords: Vulcano Island ; Geochemical monitoring ; CO2 flux ; CO2 fumaroles ; SO2 flux ; 01. Atmosphere::01.01. Atmosphere::01.01.07. Volcanic effects ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk ; 05. General::05.02. Data dissemination::05.02.01. Geochemical data
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: article
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  • 2
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    Ash erupted during normal activity at Stromboli (Aeolian Islands, Italy) raises questions on how the feeding system works (2012)
    Springer-Verlag
    Details
    Publication Date: 2017-04-04
    Description: Ash fallout collected during 4 days of sampling at Stromboli confirms that a crystal-rich (HP) degassed magma erupts during the Strombolian explosions that are characteristic of the normal activity of this volcano. We identified 3 different types of juvenile ash fragments (fluidal, spongy and dense), which formed through different mechanisms of fragmentation of the low-viscosity, physically heterogeneous (in terms of the size and spatial distribution of bubbles) shoshonitic magma. A small amount (less than 3 vol%) of volatile-rich magma with low porphyricity (LP), erupted as highly vesicular ash fragments, has been collected, together with the HP magma, during normal strombolian explosions. Laboratory experiments and the morphological, textural and compositional investigations of ash fragments reveal that the LP ash is fresh and not recycled from the last paroxysm (15 March 2007). We suggest that small droplets of LP magma are dragged to the surface by the time-variable but persistent supply of deep derived CO2-rich gas bubbles. This coupled ascent of bubbles and LP melts is transient and does not perturb the dynamics of the HP magma within the shallow reservoir. This finding provides a new perspective on how the Stromboli volcano works and has important implications for monitoring strategies.
    Description: Published
    Description: 471-477
    Description: 1.5. TTC - Sorveglianza dell'attività eruttiva dei vulcani
    Description: 2.3. TTC - Laboratori di chimica e fisica delle rocce
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: JCR Journal
    Description: reserved
    Keywords: Stromboli ; Strombolian activity ; Ash ; Paroxysms ; Clast morphology ; Glass chemistry ; Bubble ascent ; 04. Solid Earth::04.04. Geology::04.04.05. Mineralogy and petrology ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 3
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    Dynamics of ash-dominated eruptions at Vesuvius: the post-512 AD AS1a event (2012)
    Springer-Verlag
    Details
    Publication Date: 2017-04-04
    Description: Recent stratigraphic studies at Vesuvius have revealed that, during the past 4,000 years, long lasting, moderate to low-intensity eruptions, associated with continuous or pulsating ash emission, have repeatedly occurred. The present work focuses on the AS1a eruption, the first of a series of ash-dominated explosive episodes which characterized the period between the two Subplinian eruptions of 472 AD and 1631 AD. The deposits of this eruption consist of an alternation of massive and thinly laminated ash layers and minor well sorted lapilli beds, reflecting the pulsatory injection into the atmosphere of variably concentrated ash-plumes alternating with Violent Strombolian stages. Despite its nearly constant chemical composition, the juvenile material shows variable external clast morphologies and groundmass textures, reflecting the fragmentation of a magma body with lateral and/or vertical gradients in both vesicularity and crystal content. Glass compositions and mineralogical assemblages indicate that the eruption was fed by rather homogeneous phonotephritic magma batches rising from a reservoir located at ~ 4 km (100 MPa) depth, with fluctuations between magma delivery and magma discharge. Using crystal size distribution (CSD) analyses of plagioclase and leucite microlites, we estimate that the transit time of the magma in the conduit was on the order of ~ 2 days, corresponding to an ascent rate of around 2 × 10−2 ms−1. Accordingly, assuming a typical conduit diameter for this type of eruption, the minimum duration of the AS1a event is between about 1.5 and 6 years. Magma fragmentation occurred in an inertially driven regime that, in a magma with low viscosity and surface tension, can act also under conditions of slow ascent.
    Description: Published
    Description: 699-715
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: JCR Journal
    Description: reserved
    Keywords: Ash emission activity ; Tephrite ; Vesuvius ; Stratigraphy ; Textural analyses ; 04. Solid Earth::04.08. Volcanology::04.08.05. Volcanic rocks ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 4
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    Hazard assessment at Mount Etna using a hybrid lava flow inundation model and satellite-based land classification (2012)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Using a lava flow emplacement model and a satellite-based land cover classification, we produce a map to allow assessment of the type and quantity of natural, agricultural and urban land cover at risk from lava flow invasion. The first step is to produce lava effusion rate contours, i.e., lines linking distances down a volcano’s flank that a lava flow will likely extend if fed at a given effusion rate from a predetermined vent zone. This involves first identifying a vent mask and then running a downhill flow path model from the edge of every pixel around the vent mask perimeter to the edge of the DEM. To do this, we run a stochastic model whereby the flow path is projected 1,000 times from every pixel around the vent mask perimeter with random noise being added to the DEM with each run so that a slightly different flow path is generated with each run. The FLOWGO lava flow model is then run down each path, at a series of effusion rates, to determine likely run-out distance for channel-fed flow extending down each path. These results are used to plot effusion rate contours. Finally, effusion rate contours are projected onto a land classification map (produced from an ASTER image of Etna) to assess the type and amount of each land cover class falling within each contour. The resulting maps are designed to provide a quick look-up capability to assess the type of land at risk from lava extending from any location at a range of likely effusion rates. For our first (2,000 m) vent zone case used for Etna, we find a total of area of ~680 km2 is at risk from flows fed at 40 m3 s−1, of which ~6 km2 is urban, ~150 km2 is agriculture and ~270 km2 is grass/woodland. The model can also be run for specific cases, where we find that Etna’s 1669 vent location, if active today, would likely inundate almost 11 km2 of urban land, as well as 15.6 km2 of agricultural land, including 9.5 km2 of olive groves and 5.2 km2 of vineyards and fruit/nut orchards.
    Description: Published
    Description: 1001-1027
    Description: 3.6. Fisica del vulcanismo
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: JCR Journal
    Description: reserved
    Keywords: Lava flow ; Risk ; FLOWGO ; ASTER image ; Land classification ; Mt. Etna ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 5
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    Paroxysmal activity at Stromboli: lessons from the past (2012)
    Springer-Verlag
    Details
    Publication Date: 2017-04-04
    Description: The persistent normal activity of Stromboli is occasionally interrupted by sudden and highly energetic explosive events called Strombolian paroxysms. These phenomena together with landslide-generated tsunamis represent the most hazardous manifestations of present-day volcanic activity at Stromboli. The most recent paroxysms, on 5 April 2003 and 15 March 2007, have drawn attention to these energetic events because they significantly threatened inhabitants and tourists. Historical accounts and field evidence indicate, however, that even larger paroxysms, in terms of volume, dispersal of products and intensity of explosive phenomena, occurred in the recent past. During these paroxysms incipiently welded spatter deposits mantled the north and south rims of the Sciara del Fuoco down to low elevations, extending much farther than the similar deposits from recent observed events (5 April 2003 and 15 March 2007). In order to identify, characterize and discriminate among products of these outstanding spatter-forming eruptions, more than 50 stratigraphic sections were measured and sampled. Stratigraphic, sedimentological and radiometric (14C) data indicate that only two paroxysms produced spatter that reached very low elevations and inhabited areas: the first occurred in the 16th century and the last in AD 1930. Analysis of texture and deposit components reveals that the early phases of the two eruptions were driven by distinctly different eruptive dynamics. Both identified paroxysms are at least one order of magnitude greater than any similar event observed by monitoring systems at Stromboli. These two large paroxysms were the most powerful volcanic events at Stromboli in the last eighteen centuries.
    Description: Published
    Description: 1229-1243
    Description: 2.3. TTC - Laboratori di chimica e fisica delle rocce
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: JCR Journal
    Description: reserved
    Keywords: Stromboli ; Paroxysms ; Spatter ; Basaltic explosive volcanism ; Volcanic hazard ; 04. Solid Earth::04.04. Geology::04.04.10. Stratigraphy ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 6
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    Multiparametric Approach in Investigating Volcano-Hydrothermal Systems: the Case Study of Vulcano (Aeolian Islands, Italy) (2012)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Seismic activity, ground deformation, and soil and fumarole temperatures acquired during 2004–2007 at Vulcano (Aeolian Islands) are analysed and the time relations among the different time series are discussed. Changes in temperature of fumarolic gases took place during four ‘‘anomalous’’ periods (November 2004–March 2005; October 2005–February 2006; August–October 2006; July–December 2007) at the same time as an increasing number of volcano-seismic events. In particular, the temperatures at high temperature vents and at steam heated soil ranged in time from 180 to 440 C and from 20 to 90 C, respectively. The maximum daily number of volcano-seismic events was 57, reached during the second anomalous period. This seismicity, characterised by focal depth generally lower than 1 km below sea level (b.s.l.) and composed of different kinds of events associated to both resonance and shear failure processes, is related to the shallow dynamics of the hydrothermal system. During the analysed period, very few volcano-tectonic earthquakes took place and tilt recordings showed no sharp or important changes. In light of such observations, the increases in both temperature and volcano-seismic events number were associated to increases in the release of gas from a deep and stable magma body, without magma intrusions within the shallow hydrothermal system. Indeed, a greater release of gas from depth leads to increased fluid circulation, that can promote increases in volcano-seismic events number by both fracturing processes and resonance and vibration in cracks and conduits. The different trends observed in the measured geochemical and geophysical series during the anomalous periods can be due to either time changes in the medium permeability or a changing speed of gas release from a deep magma body. Finally, all the observed variations, together with the changing temporal distribution of the different seismic event kinds, suggest that the hydrothermal system at Vulcano can be considered unsteady and dynamic.
    Description: Published
    Description: 167–182
    Description: 1.5. TTC - Sorveglianza dell'attività eruttiva dei vulcani
    Description: JCR Journal
    Description: reserved
    Keywords: Volcano seismolog ; soil and fumarole temperatures ; tilt data ; hydrothermal system ; Vulcano Island ; volcanic unrest ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 7
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    Explosion craters associated with shallow submarine gas venting off Panarea island, Italy (2012)
    Springer-Verlag
    Details
    Publication Date: 2020-02-24
    Description: Explosions of hot water, steam, and gas are common periodic events of subaerial geothermal systems. These highly destructive events may cause loss of life and substantial damage to infrastructure, especially in densely populated areas and where geothermal systems are actively exploited for energy. We report on the occurrence of a large number of explosion craters associated with the offshore venting of gas and thermal waters at the volcanic island of Panarea, Italy, demonstrating that violent explosions similar to those observed on land also are common in the shallow submarine environment. With diameters ranging from 5 to over 100 m, the observed circular seafloor depressions record a history of major gas explosions caused by frequent perturbation of the submarine geothermal system over the past 10,000 years. Estimates of the total gas flux indicate that the Panarea geothermal system released over 70 Mt of CO2 over this period of time, suggesting that CO2 venting at submerged arc volcanoes contributes significantly to the global atmospheric budget of this greenhouse gas. The findings at Panarea highlight that shallow submarine gas explosions represent a previously unrecognized volcanic hazard around populated volcanic islands that needs to be taken into account in the development of risk management strategies.
    Description: Published
    Description: 1937-1944
    Description: 1.3. TTC - Sorveglianza geodetica delle aree vulcaniche attive
    Description: JCR Journal
    Description: restricted
    Keywords: Gas explosions . ; Geothermal systems ; Submarine gas venting ; Volcanic CO2 flux ; Volcanic hazards ; Panarea island ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 8
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    New clues on the contribution of Earth’s volcanism to the global mercury cycle (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Active volcanoes are thought to be important contributors to the atmospheric mercury (Hg) budget, and this chemical element is one of the most harmful atmospheric pollutants, owing to its high toxicity and long residence time in ecosystems. There is, however, considerable uncertainty over the magnitude of the global volcanic Hg flux, since the existing data on volcanogenic Hg emissions are sparse and often ambiguous. In an attempt to extend the currently limited dataset on volcanogenic Hg emissions, we summarize the results of Hg flux measurements at seven active open-conduit volcanoes; Stromboli, Asama, Miyakejima, Montserrat, Ambrym, Yasur, and Nyiragongo.. Data from the domebuilding Soufriere Hills volcano are also reported. Using our determined mercury to SO2 mass ratios in tandem with the simultaneously-determined SO2 emission rates, we estimate that the 7 volcanoes have Hg emission rates ranging from 0.2 to 18 t yr-1 (corresponding to a total Hg flux of ~41 t·yr-1). Based on our dataset and previous work, we propose that a Hg/SO2 plume ratio ~10-5 is bestrepresentative of gas emissions from quiescent degassing volcanoes. Using this ratio, we infer a global volcanic Hg flux from persistent degassing of ~95 t·yr-1
    Description: Published
    Description: 497-510
    Description: 1.2. TTC - Sorveglianza geochimica delle aree vulcaniche attive
    Description: 2.4. TTC - Laboratori di geochimica dei fluidi
    Description: JCR Journal
    Description: restricted
    Keywords: Volcanogenic mercury ; Mercury ; Volcanic plume ; Mercury flux ; Mercury inventories ; Atmospheric mercury ; 01. Atmosphere::01.01. Atmosphere::01.01.07. Volcanic effects ; 04. Solid Earth::04.02. Exploration geophysics::04.02.01. Geochemical exploration ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 9
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    CO2 and He degassing at El Chichón volcano, Chiapas, Mexico: gas flux, origin and relationship with local and regional tectonics (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: During 2007–2008, three CO2 flux surveys were performed on El Chichón volcanic lake, Chiapas, Mexico, with an additional survey in April 2008 covering the entire crater floor (including the lake). The mean CO2 flux calculated by sequential Gaussian simulation from the lake was 1,190 (March 2007), 730 (December 2007) and 1,134 g m−2 day−1 (April 2008) with total emission rates of 164±9.5 (March 2007), 59±2.5 (December 2007) and 109±6.6 t day−1 (April 2008). The mean CO2 flux estimated from the entire crater floor area was 1,102 g m−2 day−1 for April 2008 with a total emission rate of 144±5.9 t day−1. Significant change in CO2 flux was not detected during the period of survey, and the mapping of the CO2 flux highlighted lineaments reflecting the main local and regional tectonic patterns. The 3He/4He ratio (as high as 8.1 RA) for gases in the El Chichón crater is generally higher than those observed at the neighbouring Transmexican Volcanic Belt and the Central American Volcanic Arc. The CO2/3He ratios for the high 3He/4He gases tend to have the MORB-like values (1.41×109), and the CO2/3He ratios for the lower 3He/4He gases fall within the range for the arc-type gases. The high 3He/4He ratios, the MORB-like CO2/3He ratios for the high 3He/4He gases and high proportion of MORB-CO2 (M=25 ±15%) at El Chichón indicate a greater depth for the generation of magma when compared to typical arc volcanoes.
    Description: Published
    Description: 423-441
    Description: 2.4. TTC - Laboratori di geochimica dei fluidi
    Description: JCR Journal
    Description: reserved
    Keywords: El Chichon ; CO2 soil flux ; Crater Lake ; Gas geochemistry ; He-C isotopes ; Fumarolic and bubbling gases ; Tectonics ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry ; 04. Solid Earth::04.05. Geomagnetism::04.05.08. Instruments and techniques ; 04. Solid Earth::04.06. Seismology::04.06.06. Surveys, measurements, and monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 05. General::05.02. Data dissemination::05.02.01. Geochemical data
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 10
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    Geochemical evidence of the renewal of volcanic activity 5 inferred from CO2 soil and SO2 plume fluxes: the 2007 6 Stromboli eruption (Italy) (2011)
    Springer
    Details
    Publication Date: 2020-02-24
    Description: On 27 February 2007, a new eruption occurred on Stromboli which lasted until 2 April. It was characterized by effusive activity on the Sciara del Fuoco and by a paroxysmal event (15 March). This crisis represented an opportunity for us to refine the model that had been developed previously (2002-2003 eruption) and to improve our understanding of the relationship between the magmatic dynamics of the volcano and the geochemical variations in the fluids. In particular, the evaluation of the dynamic equilibrium between the volatiles (CO2 and SO2) released from the magma and the corresponding fluids discharged from the summit area allowed us to evaluate the level of criticality of the volcanic activity. One of the major accomplishments of this study is a four-year database of summit soil CO2 flux on the basis of which we define the thresholds (Low-Medium-High) for this parameter that are empirically based on the natural volcanological evolution of Stromboli. The SO2 fluxes of the degassing plume and the CO2 fluxes emitted from the soil at Pizzo Sopra la Fossa are also presented. Noteworthy geochemical signals of volcanic unrest have been clearly identified before, during, and after the effusive activity. These signals were found almost simultaneously in the degassing plume (SO2 flux) and in soil degassing (CO2 flux) at the summit, although the two degassing processes are shown to be clearly different. The interpretation of the results will be useful for future volcanic surveillance at Stromboli.
    Description: In press
    Description: 2.4. TTC - Laboratori di geochimica dei fluidi
    Description: JCR Journal
    Description: reserved
    Keywords: Stromboli Volcano ; CO2 soil flux ; Geochemical monitoring ; 2007 eruption ; 04. Solid Earth::04.04. Geology::04.04.12. Fluid Geochemistry ; 04. Solid Earth::04.06. Seismology::04.06.10. Instruments and techniques ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring
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  • 11
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    First 13C/12C isotopic characterisation of volcanic plume CO2 (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: We describe analytical details and uncertainty evaluation of a simple technique for the measurement of the carbon isotopic composition of CO2 in volcanic plumes. Data collected at Solfatara and Vulcano, where plumes are fed by fumaroles which are accessible for direct sampling, were first used to validate the technique. For both volcanoes, the plume-derived carbon isotopic compositions are in good agreement with the fumarolic compositions, thus providing confidence on the method, and allowing its application at volcanoes where the volcanic component is inaccessible to direct sampling. As a notable example, we applied the same method to Mount Etna where we derived a δ13C of volcanic CO2 between −0.9±0.27‰ and −1.41± 0.27‰ (Bocca Nuova and Voragine craters). The comparison of our measurements to data reported in previous work values of Etna CO2 from~ −4‰, in the 1970’s and the 1980’s, to~ −1‰ at the present time (2009). This shift toward more positive δ13C values matches a concurrent change in magma composition and an increase in the eruption frequency and energy. We discuss such variations in terms of two possible processes: magma carbonate assimilation and carbon isotopic fractionation due to magma degassing along the Etna plumbing system. Finally, our results highlight potential of systematic measurements of the carbon isotopic composition of the CO2 emitted by volcanic plumes for a better understanding of volcanic processes and for improved surveillance of volcanic activity.
    Description: Published
    Description: 531-542
    Description: 2.4. TTC - Laboratori di geochimica dei fluidi
    Description: JCR Journal
    Description: restricted
    Keywords: Volcanic plume ; Carbon isotope ; Etna ; Magmatic degassing ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 12
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    Rapid terrain-based mapping of some volcaniclastic flow hazard using Gis-based automated methods: a case study from southern Campania, Italy (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Destructive volcaniclastic flows are among the most recurrent and dangerous natural phenomena in volcanic areas. They can originate not only during or shortly after an eruption (syn-eruptive) but also during a period of volcanic quiescence (inter-eruptive), when heavy and/or persistent rains remobilize loose pyroclastic deposits. The area in Italy most prone to such flows is that of the Apennine Mountains bordering the southern Campania Plain. These steep slopes are covered by pyroclastic material of variable thickness (a few cm to several m) derived from the explosive activity of the Somma-Vesuvius and Campi Flegrei volcanoes a few tens of kilometers to the west. The largest and most recent devastating event occurred on May 5, 1998, causing the death of more than 150 people and considerable damage to villages at the foot of the Apennine Mountains. This tragic event was only the most recent of a number of volcaniclastic flows affecting the area in both historical and prehistoric times. Historical accounts report that more than 500 events have occurred in the last five centuries and that more than half of these occurred in the last 100 years, causing hundreds of deaths. In order to improve volcaniclastic flow hazard zonation and risk mitigation in the study area, we produced a zonation map that identifies the drainage basins potentially prone to disruption. This map was obtained by combining morphological characteristics (concavity and basin shape factor) and the mean slope distribution of drainage basins derived from a digital elevation model with a 10-m resolution. These parameters allowed for the classification of 1,069 drainage basins, which have been grouped into four different classes of proneness to disruption: low, moderate, high and very high. The map compiled in a GIS environment, as well as the linked database, can be rapidly queried.
    Description: Published
    Description: 371-387
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: JCR Journal
    Description: reserved
    Keywords: Volcaniclastic flow hazard ; GIS ; Vesuvian area ; Southern Campania Plain ; Slope instability ; 04. Solid Earth::04.08. Volcanology::04.08.07. Instruments and techniques ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 13
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    First 13C/12C isotopic characterisation of volcanic plume CO2 (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: We describe analytical details and uncertainty evaluation of a simple technique for the measurement of the carbon isotopic composition of CO2 in volcanic plumes. Data collected at Solfatara and Vulcano, where plumes are fed by fumaroles which are accessible for direct sampling, were first used to validate the technique. For both volcanoes, the plume-derived carbon isotopic compositions are in good agreement with the fumarolic compositions, thus providing confidence on the method, and allowing its application at volcanoes where the volcanic component is inaccessible to direct sampling. As a notable example, we applied the same method to Mount Etna where we derived a δ13C of volcanic CO2 between −0.9 ± 0.27‰ and −1.41 ± 0.27‰ (Bocca Nuova and Voragine craters). The comparison of our measurements to data reported in previous work highlights a temporal trend of systematic increase of δ13C values of Etna CO2 from ~ −4‰, in the 1970’s and the 1980’s, to ~ −1‰ at the present time (2009). This shift toward more positive δ13C values matches a concurrent change in magma composition and an increase in the eruption frequency and energy. We discuss such variations in terms of two possible processes: magma carbonate assimilation and carbon isotopic fractionation due to magma degassing along the Etna plumbing system. Finally, our results highlight potential of systematic measurements of the carbon isotopic composition of the CO2 emitted by volcanic plumes for a better understanding of volcanic processes and for improved surveillance of volcanic activity.
    Description: In press
    Description: 1.2. TTC - Sorveglianza geochimica delle aree vulcaniche attive
    Description: 2.4. TTC - Laboratori di geochimica dei fluidi
    Description: JCR Journal
    Description: reserved
    Keywords: Volcanic plume ; Carbon isotope ; Etna ; Magmatic degassing ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.07. Instruments and techniques
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  • 14
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    The 12 May 1802 earthquake (N Italy) in its historical and seismological context (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: The Mw 5.7 earthquake that occurred on 12 May 1802 is the only one with Mw ≥ 5.5 located west of Lake Garda in the central-northern part of the Po Plain, Northern Italy, and the strongest event located in the seismic zone 907 of the ZS9 seismogenic zonation of Italy. Current parametric earthquake catalogs locate the event not far from important cities (e.g., Milan) and to sites where nuclear power plants were to be built in the 1980s or could be built in a near future. Although the earthquake parameters seemed sufficiently well constrained, a detailed investigation of documentary sources was performed, in repositories storing the documents of the Napoleonic departments to which the area affected by the earthquake belonged at that time. In the surviving archival series, we found the officers’ correspondence on all the administrative aspects raised by the earthquake. The newly collected records allowed the authors to significantly increase the number of macroseismic intensity data, including new observations in the most damaged area. The results have been then interpreted in terms of both Mercalli–Cancani–Sieberg and EMS98 macroseismic scales. The earthquake parameters were derived applying two different methods in order to get two independent estimates. Earthquake location is confirmed, although the still scarce data available in the area to the east of the epicenter do not permit to reduce the uncertainty to a minimum. According to the Boxer method, the magnitude is now slightly higher, and the source model shows a good agreement with the tectonic setting of the area.
    Description: Published
    Description: 629-651
    Description: 3.10. Storia ed archeologia applicate alle Scienze della Terra
    Description: JCR Journal
    Description: reserved
    Keywords: 1802 earthquake ; Northern Italy ; Historical seismology ; Macroseismic intensity ; Earthquake parameters ; 04. Solid Earth::04.06. Seismology::04.06.05. Historical seismology
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  • 15
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    Distal Turbidites and Tsunamigenic Landslides of Stromboli Volcano (Aeolian Islands, Italy) (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: On 30 December 2002, a 25-30 × 106 m3 landslide on the NW flank of Stromboli volcano produced a tsunami that caused relevant damage to the Stromboli village and to the neighboring islands of the Aeolian archipelago. The NW flank of Stromboli has been the site of several, cubic kilometer-scale, landslides during the past 13 ka. In this paper we present sedimentological and compositional data of deep-sea cores recovered from a site located about 24 km north of the island. Our preliminary results indicate that: (i) turbidity currents were effectively generated by the large-scale failures and (ii) volcanogenic turbidity current deposits retain clues of the landslide source and slope failure dynamics. By analogy with Hawaii and the Canary islands we confirm that deep-sea sediments can be effectively used to assess the age and scale of past landslide events giving an important contribution to the tsunami hazard assessment of this region.
    Description: Published
    Description: 719-731
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: reserved
    Keywords: Landslide ; turbidite ; tsunami ; Stromboli ; 04. Solid Earth::04.04. Geology::04.04.04. Marine geology ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
    Type: book chapter
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  • 16
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    Dynamics of ash-dominated eruptions at Vesuvius: the post-512 AD AS1a event (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Recent stratigraphic studies at Vesuvius have revealed that, during the past 4,000 years, long lasting,moderate to low-intensity eruptions, associated with continuous or pulsating ash emission, have repeatedly occurred. The present work focuses on the AS1a eruption, the first of a series of ash-dominated explosive episodes which characterized the period between the two Subplinian eruptions of 472 AD and 1631 AD. The deposits of this eruption consist of an alternation of massive and thinly laminated ash layers and minor well sorted lapilli beds, reflecting the pulsatory injection into the atmosphere of variably concentrated ash-plumes alternating with Violent Strombolian stages. Despite its nearly constant chemical composition, the juvenile material shows variable external clast morphologies and groundmass textures, reflecting the fragmentation of a magma body with lateral and/or vertical gradients in both vesicularity and crystal content. Glass compositions and mineralogical assemblages indicate that the eruption was fed by rather homogeneous phonotephritic magma batches rising from a reservoir located at ~ 4 km (100 MPa) depth, with fluctuations between magma delivery and magma discharge. Using crystal size distribution (CSD) analyses of plagioclase and leucite microlites, we estimate that the transit time of the magma in the conduit was on the order of ~ 2 days, corresponding to an ascent rate of around 2× 10−2 ms−1. Accordingly, assuming a typical conduit diameter for this type of eruption, the minimum duration of the AS1a event is between about 1.5 and 6 years. Magma fragmentation occurred in an inertially driven regime that, in a magma with low viscosity and surface tension, can act also under conditions of slow ascent.
    Description: In press
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: JCR Journal
    Description: reserved
    Keywords: Ash emission activity ; Tephrite ; Vesuvius ; Stratigraphy ; Textural analyses ; 04. Solid Earth::04.08. Volcanology::04.08.05. Volcanic rocks ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
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  • 17
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    The distal segment of Etna’s 2001 basaltic lava flow (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Etna’s 2001 basaltic lava flow provided a good example of the distal flow segment between the flow front and stable channel, across which the flow evolves from channel-contained to dispersed. This zone was mapped with meter precision using LIDAR data collected during 2004 and 2005. These data, supported by field mapping, show that the flow front comprised eight lobes each 10 to 20 m high. The flow front appears to have advanced not as a single unit, but as a series of lobes moving forward one lobe at a time. Primary lobes were centered on the channel axis and marginal lobes were off-axis. The lobes advanced as breakouts of low-yield-strength lava from the flow core of the stalled flow front. Marginal lobes were abandoned and contributed to marginal levees flanking the transitional channel. For Etna’s 2001 flow, the transitional channel is 140 m wide, 700 m long and fed a 240-m-long zone of dispersed flow; the change from stable to transitional channel occurred at a major reduction in slope. Above this, the stable channel is 5.2 km long, 55 to 105 m wide and bounded by 15- to 25-m-high levees, and the stable channel is located over a previous channel. In a final stage of activity, lava ponding at the break-in-slope that marks the terminus of the stable channel put pressure on the eastern levee, causing it to fail. Liberated lava then fed a final break-out to the east. Similar flow front-features occur at other volcanoes, indicating that similar processes are characteristic of dispersed flow zones.
    Description: Published
    Description: 119-127
    Description: 1.10. TTC - Telerilevamento
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 3.6. Fisica del vulcanismo
    Description: JCR Journal
    Description: reserved
    Keywords: Basalt lava ; Channelised lava flow ; Flow front ; Zone of dispersed flow ; Flow dynamics ; LIDAR ; Etna ; 04. Solid Earth::04.08. Volcanology::04.08.05. Volcanic rocks ; 04. Solid Earth::04.08. Volcanology::04.08.07. Instruments and techniques ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
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  • 18
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    Changes of the susceptibility to lava flow invasion induced by morphological modifications of an active volcano: the case of Mount Etna, Italy (2011)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: Changes of the susceptibility to lava flow invasion at Mount Etna are quantified by using lava flow simulations on four Digital Elevation Models documenting the morphostructural modifications of the volcano in the time interval 1986–2007. The probabilistic code DOWNFLOW is used to derive the areas invaded by several thousands of lava flows obtaining, for each DEM, maps of the susceptibility to lava flow invasion and of the lava flow hazard. These maps show, for the first time, the evolution of these surficial properties with time, and render a quantitative image of the effects of topographic changes on the preferential lava flow drainage paths. The results illustrate how the emplacement of new lava flows and the growth of scoria cones affect the probability of inundation by lava flows. We conclude that the persistent activity of this volcano requires a frequent updating of the topography for a reliable lava flow hazard assessment.
    Description: Published
    Description: 537-546
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: JCR Journal
    Description: reserved
    Keywords: Lava flow simulation ; Digital Elevation Model ; Lidar ; Time series ; Lava flow hazard maps ; 04. Solid Earth::04.08. Volcanology::04.08.06. Volcano monitoring ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk ; 05. General::05.08. Risk::05.08.99. General or miscellaneous
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  • 19
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    Pyroclastic flow hazard assessment at Somma–Vesuvius based on the geological record. (2011)
    Springer-Verlag
    Details
    Publication Date: 2021-09-03
    Description: During the past 22 ka of activity at Somma– Vesuvius, catastrophic pyroclastic density currents (PDCs) have been generated repeatedly. Examples are those that destroyed the towns of Pompeii and Ercolano in AD 79, as well as Torre del Greco and several circum-Vesuvian villages in AD 1631. Using new field data and data available from the literature, we delineate the area impacted by PDCs at Somma–Vesuvius to improve the related hazard assessment. We mainly focus on the dispersal, thickness, and extent of the PDC deposits generated during seven plinian and sub-plinian eruptions, namely, the Pomici di Base, Greenish Pumice, Pomici di Mercato, Pomici di Avellino, Pompeii Pumice, AD 472 Pollena, and AD 1631 eruptions. We present maps of the total thickness of the PDC deposits for each eruption. Five out of seven eruptions dispersed PDCs radially, sometimes showing a preferred direction controlled by the position of the vent and the paleotopography. Only the PDCs from AD 1631 eruption were influenced by the presence of the Mt Somma caldera wall which stopped their advance in a northerly direction. Most PDC deposits are located downslope of the pronounced break-in slope that marks the base of the Somma– Vesuvius cone. PDCs from the Pomici di Avellino and Pompeii Pumice eruptions have the most dispersed deposits (extending more than 20 km from the inferred vent). These deposits are relatively thin, normally graded, and stratified. In contrast, thick, massive, lithic-rich deposits are only dispersed within 7 to 8 km of the vent. Isopach maps and the deposit features reveal that PDC dispersal was strongly controlled by the intensity of the eruption (in terms of magma discharge rate), the position of the vent area with respect to the Mt Somma caldera wall, and the pre-existing topography. Facies characteristics of the PDC deposits appear to correlate with dispersal; the stratified facies are consistently dispersed more widely than the massive facies.
    Description: Published
    Description: 1021–1038
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: JCR Journal
    Description: reserved
    Keywords: Pyroclastic flow ; Hazard assessment ; Mt Somma ; Pyroclastic density currents ; Facies ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
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  • 20
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    Towards an automatic monitoring system of infrasonic events at Mt. Etna: strategies for source location and modelling (2010)
    Springer
    Details
    Publication Date: 2020-11-16
    Description: Active volcanoes characterized by open conduit conditions generate sonic and infrasonic signals, whose investigation provides useful information for both monitoring purposes and studying the dynamics of explosive processes. In this work, we discuss the automatic procedures implemented for a real-time application to the data acquired by a permanent network of five infrasound stations running at Mt. Etna volcano. The infrasound signals at Mt. Etna consist in amplitude transients, called infrasound events. The adopted procedure uses a multi-algorithm approach for event detection, counting, characterization and location. It is designed for an efficient and accurate processing of infrasound records provided by single-site and array stations. Moreover, the source mechanism of these events can be investigated off-line or in near real-time by using three different models: i) Strombolian bubble; ii) resonating conduit and iii) Helmholtz resonator. The infrasound waveforms allow us to choose the most suitable model, to get quantitative information about the source and to follow the time evolution of the source parameters.
    Description: Published
    Description: 1215–1231
    Description: 6V. Pericolosità vulcanica e contributi alla stima del rischio
    Description: JCR Journal
    Description: open
    Keywords: infrasound ; monitoring system ; Mt. Etna ; 04. Solid Earth::04.06. Seismology::04.06.08. Volcano seismology
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  • 21
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    Information background of 11th-15th centuries earthquakes located by the current catalogues in Vrancea (Romania) (2010)
    Springer
    Details
    Publication Date: 2020-11-16
    Description: Earthquake catalogues for Romania supply for 11th–15th century earthquakes located in the region of Vrancea records that consist of a complete set of parameters, including magnitude and depth. Scope of this paper is to verify the reliability and consistency of these parameters with the informative background as explicitly referenced by the catalogues. After retrieving the original sources they mention, the set of data appeared to be related almost exclusively to the Russian plain and too poor to be at the very origin of the parameter assessment. Data for 19th–20th century earthquakes, such as instrumental locations and CMT solutions, added to the understanding of the macroseismic response of the Russian plain to Vrancea earthquakes. On the one hand, the investigation and analysis of historical earthquake records for the fourteen events listed by the catalogues in the 11th–15th centuries has shown that for three earthquakes (1022, 1038, 1258) no primary sources could be traced, and three more earthquakes (1091, 1170 and 1328) are attested only by scarcely reliable records and had to be classified as doubtful, and one (1473) is simply a duplication of the 1471 event. On the other hand, the availability of data on recent earthquakes that may be compared to historical ones in terms of macroseismic effects allowed the authors to agree with the previous catalogue compilers’ solution with regard to both magnitude and depth of the past earthquakes for which do exist reliable primary historical records.
    Description: Published
    Description: 575–604
    Description: 4IT. Banche dati
    Description: JCR Journal
    Description: open
    Keywords: Vrancea earthquakes ; 11th-15th earthquakes ; 04. Solid Earth::04.06. Seismology::04.06.05. Historical seismology
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  • 22
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    Static chamber methane flux measurements in volcanic/geothermal areas: preliminary data from Sousaki and Nisyros (Greece) (2010)
    Copernicus
    Details
    Publication Date: 2017-04-04
    Description: Methane plays an important role in the Earth’s atmospheric chemistry and radiative balance being the second most important greenhouse gas after carbon dioxide. Methane is released to the atmosphere by a wide number of sources, both natural and anthropogenic, with the latter being twice as large as the former (IPCC, 2007). It has recently been established that significant amounts of geological methane, produced within the Earth’s crust, are currently released naturally into the atmosphere (Etiope, 2004). Active or recent volcanic/geothermal areas represent one of these sources of geological methane. But due to the fact that methane flux measurements are laboratory intensive, very few data have been collected until now and the contribution of this source has been generally indirectly estimated (Etiope et al., 2007). The Greek territory is geodynamically very active and has many volcanic and geothermal areas. Here we report on methane flux measurements made at two volcanic/geothermal systems along the South Aegean volcanic arc: Sousaki and Nisyros. The former is an extinct volcanic area of Plio-Pleistocene age hosting nowadays a low enthalpy geothermal field. The latter is a currently quiescent active volcanic system with strong fumarolic activity due to the presence of a high enthalpy geothermal system. Both systems have gas manifestations that emit significant amounts of hydrothermal methane and display important diffuse carbon dioxide emissions from the soils. New data on methane isotopic composition and higher hydrocarbon contents point to an abiogenic origin of the hydrothermal methane in the studied systems. Measured methane flux values range from –48 to 29,000 (38 sites) and from –20 to 1100 mg/mˆ2/d (35 sites) at Sousaki and Nisyros respectively. At Sousaki measurement sites covered almost all the degassing area and the diffuse methane output can be estimated in about 20 t/a from a surface of about 10,000 mˆ2. At Nisyros measurements covered the Stephanos and Kaminakia areas, which represent only a part of the entire degassing area. The two areas show very different methane degassing pattern with latter showing much higher flux values. Methane output can be estimated in about 0.25 t/a from an area of about 30,000 mˆ2 at Stephanos and about 1 t/a from an area of about 20,000 mˆ2 at Kaminakia. The total output from the entire geothermal system of Nisyros probably should not exceed 2 t/a.
    Description: Published
    Description: Vienna, Austria
    Description: 4.5. Studi sul degassamento naturale e sui gas petroliferi
    Description: open
    Keywords: methane output ; diffuse degassing ; volcanic/hydrothermal systems ; Greece ; 01. Atmosphere::01.01. Atmosphere::01.01.03. Pollution ; 01. Atmosphere::01.01. Atmosphere::01.01.07. Volcanic effects ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 05. General::05.02. Data dissemination::05.02.01. Geochemical data ; 05. General::05.08. Risk::05.08.01. Environmental risk
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  • 23
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    Environmental impact of Mt. Etna’s degassing: volcanogenic trace elements bioaccumulation in two endemic plant species (Senecio aethnensis and Rumex aethnensis) (2010)
    Copernicus
    Details
    Publication Date: 2017-04-04
    Description: A biomonitoring survey, above tree line level, using two endemic species (Senecio aethnensis and Rumex aethnensis) was performed on Mt. Etna, in order to evaluate the dispersion and the impact of volcanic atmospheric emissions. Samples of leaves were collected in summer 2008 from 30 sites in the upper part of the volcano (1500- 3000 m a.s.l). Acid digestion of samples was carried out with a microwave oven, and 44 elements were analyzed by using plasma spectrometry (ICP-MS and ICP-OES). The highest concentrations of all investigated elements were found in the samples collected closest to the degassing craters, and in the downwind sector, confirming that the eastern flank of Mt. Etna is the most impacted by volcanic emissions. Leaves collected along two radial transects from the active vents on the eastern flank, highlight that the levels of metals decrease one or two orders of magnitude with increasing distance from the source. This variability is higher for volatile elements (As, Bi, Cd, Cs, Pb, Sb, Tl) than for more refractory elements (Al, Ba, Sc, Si, Sr, Th, U). The two different species of plants do not show significant differences in the bioaccumulation of most of the analyzed elements, except for lanthanides, which are systematically enriched in Rumex leaves. The high concentrations of many toxic elements in the leaves allow us to consider these plants as highly tolerant species to the volcanic emissions, and suitable for biomonitoring researches in the Mt. Etna area.
    Description: Published
    Description: Vienna, Austria
    Description: 4.4. Scenari e mitigazione del rischio ambientale
    Description: open
    Keywords: Mt. Etna ; biomonitoring ; Trace elements ; 01. Atmosphere::01.01. Atmosphere::01.01.03. Pollution ; 01. Atmosphere::01.01. Atmosphere::01.01.07. Volcanic effects ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases ; 05. General::05.02. Data dissemination::05.02.01. Geochemical data ; 05. General::05.08. Risk::05.08.01. Environmental risk
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  • 24
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    Degassing behavior of Mt. Etna volcano (Italy) during 2007-2008, inferred (2010)
    EGU
    Details
    Publication Date: 2017-04-04
    Description: Studies on volcanic degassing have recently shown the important role of volatile release from active volcanoes in understanding magmatic processes prior to eruptions. Here we present and discuss the evolution of magmatic degassing that preceded and accompanied the 2008 Mt. Etna eruption. We tracked the ascent of magma bodies by high-temporal resolution measurements of SO2 emission rates and discrete sampling of SO2/HCl and SO2/HF molar ratios in the crater plume, as well as by periodic measurement of soil CO2 emission rates. Our data suggest that the first signs of upward migration of gas-rich magma before the 2008 eruption were observed in June 2007, indicated by a strong increase in soil CO2 efflux followed by a slow declining trend in SO2 flux and halogens. This degassing behavior preceded the mid-August 2007 summit activity culminated with the September 4th paroxysmal event. Five months later, a new increase in both soil CO2 and SO2 emission rates occurred before the November 23rd paroxysm, to drop down in late December. In the following months, geochemical parameters showed high variability, characterized by isolated sudden increases occurred in early December 2007 and late March 2008. In early May soil CO2, SO2 emission rates and S/Cl molar ratio gradually increased. Crater degassing peaked on May 13th marking the onset of the eruption. Eruptive activity was accompanied by a general steady-state of SO2 flux characterized by two main degassing cycles. These cycles preceded explosive activity at the eruptive vents, indicating terminal new-arrival of deep gas-rich magma bodies in the shallow plumbing system of Mt Etna. Conversely, halogens described a slight increasing trend till the end of 2008. These observations suggest an impulsive syn-eruptive dynamics of magma transfer from depth to the surface. Differently from the SO2 emission rates, the S/Cl ratio and the soil CO2 efflux values showed an increasing trend from mid-April to mid-July 2008, indicating steady-increasing input of deeper, gas-rich magma. Since August, geochemical parameters decreased, suggesting that new magma has not arrived from depth. According to our interpretation, both the CO2 efflux and the S/Cl ratio increases observed in early November may indicate a new input of fresh magma form depth. Finally, the estimated volume of degassing magma showed substantial equilibrium between degassed and erupted magma suggesting an “eruptive” steady-state of the volcano.
    Description: INGV, Sezione di Catania; INGV, Sezione di Pisa; University of Cambridge, Cambridge, UK
    Description: Published
    Description: Vienna, Austria
    Description: 1.2. TTC - Sorveglianza geochimica delle aree vulcaniche attive
    Description: open
    Keywords: Mt. Etna ; plume gases ; soil CO2 ; eruption ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases
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  • 25
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    Coupling high-frequency measurement of 222Rn, 220Rn in soil gases with (2010)
    EGU
    Details
    Publication Date: 2017-04-04
    Description: Concurrent measurement of soil radon, soil thoron and soil CO2 efflux is based on the method developed by Giammanco et al. (Geochem. Geophys. Geosys., 8(10), Q 10001, doi:10.1029/2007GC001644, 2007). An empirical relationship links the 222Rn/220Rn ratio to the CO2 efflux: deep sources of gas are characterized by high 222Rn activity and high CO2 efflux, whereas shallow sources are indicated by high 220Rn activity and relatively low CO2 efflux. This relationship is more constraining on the type and depth of the gas source than using the 222Rn/220Rn ratio alone.We studied the temporal variation of the ratio between CO2 efflux and (222Rn/220Rn), that we define as a Soil Gas Disequilibrium Index (SGDI). Since June 2006, periodical measurements of the SGDI were carried out in ten sites located on the flanks of Mt. Etna, with sampling frequency of about ten days. Remarkable variations in this parameter were recorded during the period 2006-2008 likely associated with changes in the activity level of Mt. Etna. In particular, one of the sites located in the area called Primoti (on the lower east flank of the volcano) has shown significant anomalous changes of the SGDI in time, possibly correlated with the eruptive/tectonic activity. For this reason, in this site we set up an automatic monitoring station made of a Radon/Thoron monitor (model RTM 2100, SARAD GmbH, Germany) coupled with a soil CO2 efflux station (model ACE, ADC BioScientific Ltd., UK). The sampling frequency was set at 30 minutes, in order to allow for a sufficient decay equilibration in the radon isotopes. Air temperature and barometric pressure were recorded as well, with the same sampling rate as for the soil gases. The site chosen for testing the monitoring station is located on the east flank of Mt. Etna at an altitude of about 520 a.s.l., in an area known for widespread diffuse emissions of CO2 and other gases of magmatic origin. The preliminary data acquired so far showed an average soil CO2 efflux of 10 g m􀀀2 d􀀀1 (std dev of about 7 g m􀀀2 d􀀀1) and average 222Rn and 220Rn activities of about 3.3 103 Bq/m3 (std dev of about 1140 Bq/m3) and about 2.0 103 Bq/m3 (std dev of about 620 Bq/m3), respectively. The corresponding values of the SGDI thus obtained varied in the range from about -1.5 to about 70.1, with an average of about 7 and standard deviation of about 6.3. The apparent baseline of the parameter is around the value of 3, and daily variations are clearly detected due to the combined influence of air temperature and barometric pressure. No clear influence from rainfall was observed. Some spikes were also detected, whose origin has to be studied by correlating the SGDI with other environmental parameters as well as with changes in the volcanic/tectonic activity of Mt. Etna.
    Description: INGV, Sezione di Catania
    Description: Published
    Description: Vienna, Austria
    Description: 1.2. TTC - Sorveglianza geochimica delle aree vulcaniche attive
    Description: open
    Keywords: Mt. Etna ; soil radon ; CO2 ; 04. Solid Earth::04.08. Volcanology::04.08.01. Gases
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 26
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    Lava flow hazard at Nyiragongo volcano, D.R.C. 2. Hazard reduction in urban areas (2010)
    Springer-Verlag
    Details
    Publication Date: 2017-04-04
    Description: Mt. Nyiragongo is one of the most dangerous volcanoes in the world for the risk associated with the propagation of lava flows. In 2002 several vents opened along a huge system of fractures, pouring out lava which reached and destroyed a considerable part of Goma, a town of about 500,000 inhabitants on the shore of Lake Kivu. In a companion paper (Favalli et al. in Bull Volcanol, this issue, 2008) we employed numerical simulations of probable lava flow paths to evaluate the lava flow hazard on the flanks of the volcano, including the neighbouring towns of Goma (DRC) and Gisenyi (Rwanda). In this paper we use numerical simulations to investigate the possibility of significantly reducing the lava flow hazard in the city through the construction of protective barriers. These barriers are added to the DEM of the area as additional morphological elements, and their effect is evaluated by repeating numerical simulations with and without the presence of barriers. A parametric study on barrier location, size, shape and orientation led to the identification of barriers which maximize protection while minimizing their impact. This study shows that the highest hazard area corresponding to eastern Goma, which was largely destroyed by lava flows in 2002, cannot be effectively protected from future lava flows towards Lake Kivu and should be abandoned. On the contrary, the rest of the town can be sheltered from lava flows by means of two barriers that deviate or contain the lava within the East Goma sector. A proposal for the future development of the town is formulated, whereby “new” Goma is completely safe from the arrival of lava flows originating from vents outside its boundaries. The proposal minimizes the risk of further destruction in town due to future lava flows.
    Description: Published
    Description: 375-387
    Description: 2.1. TTC - Laboratorio per le reti informatiche, GRID e calcolo avanzato
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: JCR Journal
    Description: reserved
    Keywords: Lava flow ; Nyiragongo ; Volcanic hazard ; Hazard mitigation ; Numerical simulations ; Lava barriers ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk ; 05. General::05.01. Computational geophysics::05.01.04. Statistical analysis ; 05. General::05.01. Computational geophysics::05.01.05. Algorithms and implementation
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 27
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    Distal Turbidites and Tsunamigenic Landslides of Stromboli Volcano (Aeolian Islands, Italy) (2010)
    Springer
    Details
    Publication Date: 2017-04-04
    Description: On 30 December 2002, a 25-30 × 106 m3 landslide on the NW flank of Stromboli volcano produced a tsunami that caused relevant damage to the Stromboli village and to the neighboring islands of the Aeolian archipelago. The NW flank of Stromboli has been the site of several, cubic kilometer-scale, landslides during the past 13 ka. In this paper we present sedimentological and compositional data of deep-sea cores recovered from a site located about 24 km north of the island. Our preliminary results indicate that: (i) turbidity currents were effectively generated by the large-scale failures and (ii) volcanogenic turbidity current deposits retain clues of the landslide source and slope failure dynamics. By analogy with Hawaii and the Canary islands we confirm that deep-sea sediments can be effectively used to assess the age and scale of past landslide events giving an important contribution to the tsunami hazard assessment of this region.
    Description: Unpublished
    Description: -
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: 4.3. TTC - Scenari di pericolosità vulcanica
    Description: reserved
    Keywords: Landslide ; turbidite ; tsunami ; Stromboli ; 04. Solid Earth::04.04. Geology::04.04.04. Marine geology ; 04. Solid Earth::04.04. Geology::04.04.08. Sediments: dating, processes, transport ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
    Repository Name: Istituto Nazionale di Geofisica e Vulcanologia (INGV)
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  • 28
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    Reconstruction of the eruptive activity on the NE sector of Stromboli volcano: timing of flank eruptions since 15 ka (2010)
    Springer
    Details
    Publication Date: 2020-02-24
    Description: A multidisciplinary geological and compositional investigation allowed us to reconstruct the occurrence of flank eruptions on the lower NE flank of Stromboli volcano since 15 ka. The oldest flank eruption recognised is Roisa, which occurred at ~15 ka during the Vancori period, and has transitional compositional characteristics between the Vancori and Neostromboli phases. Roisa was followed by the San Vincenzo eruption that took place at ~12 ka during the early stage of Neostromboli period. The eruptive fissure of San Vincenzo gave rise to a large scoria cone located below the village of Stromboli, and generated a lava flow, most of which lies below sea level. Most of the flank eruptions outside the barren Sciara del Fuoco occurred in a short time, between ~9 and 7 ka during the Neostromboli period, when six eruptive events produced scoria cones, spatter ramparts and lava flows. The Neostromboli products belong to a potassic series (KS), and cluster in two differently evolved groups. After an eruptive pause of ~5,000 years, the most recent flank eruption involving the NE sector of the island occurred during the Recent Stromboli period with the formation of the large, highly K calc-alkaline lava flow field, named San Bartolo. The trend of eruptive fissures since 15 ka ranges from N30°E to N55°E, and corresponds to the magma intrusions radiating from the main feeding system of the volcano.
    Description: The mapping of Stromboli was supported by a grant to S. Calvari (Project V2/01, 2005–2007, funded by the Istituto Nazionale di Geofisica e Vulcanologia and by the Italian Civil Protection). This work was partly supported by INGV through a research grant financed by MIUR-FIRB to G. Norini. We wish to thank the former Director of INGV-Sezione di Catania, A. Bonaccorso, for making additional funds available for field trip and datings.
    Description: In press
    Description: 3.5. Geologia e storia dei vulcani ed evoluzione dei magmi
    Description: JCR Journal
    Description: restricted
    Keywords: Stromboli ; flank fissures ; 04. Solid Earth::04.08. Volcanology::04.08.08. Volcanic risk
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  • 29
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    Crystal structure of [Mn2(III)(salpa)2Cl2(H2O)2] (H2salpa = 1-(salicylaldeneamino)-3-hydroxypropane) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 203-206 
    Details
    ISSN: 1572-8854
    Keywords: Manganese(III) ; Schiff base ; hydrogen bonding ; crystal structure ; Jahn-Teller distortion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The manganese complex, (Mn2(III)(salpa)2Cl2(H2O)2], has been prepared and its structure determined using x-ray crystallography. The dimer is a di-μ2-alkoxo complex which is a six-coordinate manganese dimer with unsupported alkoxide bridges and a rare example of a chloride- and water-containing manganese dimer. The complex crystallizes in the monoclinic space group P21/c with a = 9.315(5), b = 11.130(4), c = 11.637(5) Å, β = 104.33(3)°, V = 1169.0(9) Å3, and Z = 2. The structure comprises discrete binuclear clusters in which the metal atoms are bridged by two alkoxo oxygens of the salpa2− ligands. The Mn—O and Mn—N distances are in good agreement with those found for other manganese(III) Schiff base complexes. The Mn—Cl and Mn—O3 distances are 2.585(2) and 2.371(2) Å, respectively, and the Mn ··· Mn distance is 3.001(1) Å. In the crystal, there are two types of hydrogen bonding between the H2O molecule and the Cl atom with Cl ··· H(H2O) distance of 2.33(6) (intramolecule: −1 + x, y, −1 + z) and 2.68(6) Å (intermolecule: −1 + x, 0.5−y, −0.5 + z).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1009526312170
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  • 30
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    Molecular structure of ThBr4(DME)2 (DME = 1,2-dimethoxyethane) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 243-246 
    Details
    ISSN: 1572-8854
    Keywords: Thorium ; dimethoxyethane ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The molecular structure of ThBr4(DME)2 (DME = 1,2-dimethoxyethane), the first structurally characterized thorium complex containing a simple bidentate ether ligand, is described. The eight-coordinate complex presents a distorted dodecahedral geometry, with Th—Br and Th—O bond lengths in the ranges 2.8516(13)–2.8712(13) Å and 2.564(8)–2.620(8) Å, respectively. ThBr4(DME)2 is monoclinic, space group P21/n, a = 7.672(1), b = 14.581(1), c = 15.847(2) Å, β = 102.24(1)°, V = 1732.4(3) Å3, and Z = 4.
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    URL: http://dx.doi.org/10.1023/A:1009542715804
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  • 31
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    Synthesis and crystal structure of the copper(II) complex with novel Schiff base ligand: Cu(C8H7O2N)2(OH2) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 295-298 
    Details
    ISSN: 1572-8854
    Keywords: Copper ; crystal structure ; synthesis ; Schiff base ligand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title complex Cu(C8H7O2N)2(OH2) crystallized in the orthorhombic space group, Pbca with unit cell parameters: a = 15.242(2), b = 11.782(4), c = 17.946(4) Å, and Z = 8. Two nitrogen atoms, two phenolic oxygen atoms of the ligand, and one water molecule are coordinated with copper to form a distorted tetragonal pyramidal polyhedron.
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    URL: http://dx.doi.org/10.1023/A:1009569701034
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  • 32
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    Synthesis and crystal structures of quadruply carboxylate-bridged dimeric lanthanide(III) complexes of betaine (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 309-316 
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    ISSN: 1572-8854
    Keywords: Europium ; terbium ; betaine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Three dimeric lanthanide(III) complexes, [Eu2(bet)8(H2O)4](CIO4)6 (1), [Tb2(bet)8(H2O)4](ClO4)6 (2), and [Eu2(bet)4(H2O)8] Cl6·6H2O (3) (bet = Me3N+CH2COO−, trimethyl-aminoacetate), have been prepared and structurally characterized by X-ray crystallography. Complex 1 crystallizes in the monoclinic space group P21/c, with a = 11.7807(8), b = 27.757(5), c = 11.7980(8) Å, β = 99.500(4)°, V = 3805.1(8) Å3, and Z = 2. Complex 2 is isomorphous to complex 1, crystallizing in the monoclinic space group P21/c, with a = 11.7769(14), b = 27.725(3), c = 11.795(5) Å, β = 99.668(14)°, V = 3797(2) Å3, and Z = 2. Complex 3 crystallizes in the orthorhombic space group Pbca, with a = 12.5664(8), b = 17.8645(9), c = 22.2573(8) Å, V = 4996.6(4) Å3 and Z = 4. Both complexes 1 and 2 comprise quadruply carboxylate-O,O′-bridged [M2(bet)4]6+ dimeric cores (M = Eu, Tb), and each metal ion is further coordinated by two terminal aqua ligands and two monodentate bet carboxylates to form a distorted square-antiprismatic coordination geometry. Complex 3 also has a [Eu2(bet)4]6+ core, in which two bet ligands act in the η1:η1:μ2 bridging fashion, and the other two bet ligands in the less common η2:η1:μ2 bridging fashion, namely bridging-chelate mode. Each europium(III) ion in complex 3 is further coordinated by four water molecules to complete a monocapped square antiprism.
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  • 33
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    Copper, a chemical Janus: two copper(II) complexes with different ligand in one single crystal (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1085-1088 
    Details
    ISSN: 1572-8854
    Keywords: crystal structure ; copper(II) complexes ; dinuclear complexes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A chemical Janus, binuclear copper(II) complexes, {[Cu(TPA)Cl][Cu(BPA)Cl]}(ClO4)2 (TPA = Tris(2-pyridylmethyl) amine, BPA = bis-(2-pyridylmethyl)amine) containing two different ligands has been synthesized and characterized by X-ray single crystal analysis. Crystal data: triclinic, space group P1$sm, a = 12.529(3), b = 12.655(3), c = 13.458(3) Å, α = 70.48(3), β = 67.40(3), γ = 75.81(3)°, D x = 1.648 mg m−3, and Z = 2. The molecular structure shows that the binuclear copper complex consists of two positive cation and two perchlorate anions. The positive cations moieties have different ligands. Cu(1) is coordinated by four nitrogen atoms from TPA and one chloride atom, forming a square-pyramidal geometry, whereas the coordinate number of Cu(2) is four, three of which are from BPA, one from chloride. There are two weak bonds between the Cl(2a) ion and the Cu(2) ion (2.844 Å) and the distance of Cu(2)=O(13) is 2.750(9) Å.
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  • 34
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    Molecular gears: Structures of (9,10-triptyceno) crown ethers (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 513-521 
    Details
    ISSN: 1572-8854
    Keywords: nanotechnology ; molecular devices ; triptycene ; crown ether ; crystal structure ; thallium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The incorporation of 9,10-triptycene unit in a crown ether is examined from a structural perspective. Insertion of a triptycene group into 18-crown-6 stretches the crown into an ellipse, as seen in structures presented here of 9,10-triptyceno-22-crown-6 and its thallium complex. Symmetric addition of two triptycene groups into 18-crown-6 results in the sterically congested bis(9,10-triptyceno)-26-crown-6, whose crown cavity is filled with the π-clouds of two arene groups. The larger bis(9,10-triptyceno)-32-crown-8 is more sterically relaxed. The structures of these bis(triptyceno)crown ether molecules are the first with two triptycene groups simultaneously linked through their 9 and 10 positions, thereby forming a simple molecular gearing mechanism. The compound 9,10-triptyceno-22-crown-6 (1) crystallizes in the orthorhombic space group Pbca with a = 10.7962(7), b = 15.826(3), c = 31.147(5) Å, V = 5321.8(12) Å3, and Z = 8; its complex with TlNO3 (Tl-1) crystallizes in the monoclinic space group P21/c with a = 8.1884(14), b = 19.552(2), c = 20.575(4) Å, β = 97.062(8)°, V = 3269.2(9) Å3, and Z = 4; bis(9,10-triptyceno)-26-crown-6 (2) crystallizes in the triclinic space group P $$\bar 1$$ with a = 8.6488(11), b = 10.7718(12), c = 12.3324(12) Å, α = 111.58(1), β = 100.55(1), γ = 106.43(1)°, V = 970.3(5) Å3, and Z = 1; and bis(9,10-triptyceno)-32-crown-8 (3) crystallizes in the orthorhombic space group Pna21 with a = 20.186(3), b = 8.558(2), c = 25.623(2) Å, V = 4426.2(14) Å3, and Z = 4.
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    The structure of bis(trimethylammonium) undecachlorotriantimonate(III) [(CH3)3NH]2Sb3Cl11 containing a novel antimony(III) anion (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 555-560 
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    ISSN: 1572-8854
    Keywords: alkylammonium chloroantimonates(III) ; hydrogen bonds ; disorder ; lone electron pair ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of [(CH3)3NH]2Sb3Cl11 (space group P21/n; a = 10.374(2), b = 23.723(5), c = 11.884(2) Å, β = 113.46(3)°; V = 2682.9(9) Å3) consists of a structurally novel [Sb3Cl2− 11] anion and two crystallographically nonequivalent trimethylammonium cations. The anion is composed of three deformed octahedra in the asymmetric part of the unit cell. The octahedra are connected with each other by edges and corners forming a characteristic polyanionic layer. Trimethylammonium cations, one ordered and one disordered, are connected to the inorganic sublattice by N—H· · ·Cl hydrogen bonds.
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    URL: http://dx.doi.org/10.1023/A:1009592618124
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  • 36
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    Crystal structure of the Λ-[4M] enantiomer of cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-N5,O4) copper(II) perchlorate monohydrate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 571-574 
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    ISSN: 1572-8854
    Keywords: crystal structure ; complexes ; pteridine ; lumazine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Single-crystal X-ray diffraction studies have been performed on the complex cis-diaqua-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O4,N5) copper(II) perchlorate monohydrate, [Cu(DLM)2(H2O)2](ClO4)2 · H2O. This compound crystallizes in the orthorhombic system, P212121 space group, Z = 4 with a = 8.749(1) Å, b = 14.213(1) Å, c = 21.200(2) Å, and V = 2636.2(4) Å3. The metal ion is surrounded in octahedral geometry by two mutually quasi-perpendicular N5,O4-coordinated lumazine chelators with the O4 atoms trans and the N5 atoms cis. The polyhedron is completed by two cis-coordinated water molecules. The absolute configuration of the complex can be described, following Bailar's nomenclature, as the enantiomer Λ of the stereoisomer 4M. A three-dimensional hydrogen-bond network is defined by water molecules, perchlorate anions, and the O2 of the pteridine A.
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    Synthesis and characterization of the dodecanuclear heterobimetallic Mo—Cu—S cage cluster: (Ph4P)2[{Mo2Cu2O2S2(S2)2}3(μ6-S)] (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 581-586 
    Details
    ISSN: 1572-8854
    Keywords: dodecanuclear heterobimetallic ; molybdenum-copper cluster ; cage ; μ6-S ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complex (Ph4P)2[Mo2S2O2(S2)(S4)] reacts with CuBr to give the dodecanuclear heterobimetallic Mo—Cu—S cage cluster: (Ph4P)2[{Mo2Cu2O2S2(S2)2}3(μ6-S)] (1), which crystallizes in the triclinic space group P1¯, a = 14.445(5), b = 15.396(5), c = 18.858(5) Å, α = 103.12(3), β = 101.93(2), γ = 113.92(3)°, and V = 3517(2) Å3 for Z = 2. The anion 1 can be described as a cage with S2− at the center binding to six Cu atoms; the cage has two big windows each composed of a puckered Cu3S6 9-membered ring.
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  • 38
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    Crystal and molecular structure of five coordinate copper(II) complex with 2,6-bis[1-(methoxycarbonylmethyl–hydrazono)ethyl] pyridine (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 575-580 
    Details
    ISSN: 1572-8854
    Keywords: copper(II) complexes ; 2,6-diacetylpyridine derivative ; open-chain ligand ; crystal structure ; trigonal-bipyramidal geometry
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound was obtained by a template synthesis from 2,6-diacetylpyridine, ethylhydrazinoacetate and CuCl2·2H2O (molar ratio 1:2:1, in methanol), and its structure has been determined by single-crystal X-ray diffraction: monoclinic space group P21/c, a = 13.906(5), b = 18.199(6), c = 16.641(6) Å, β = 107.18(3)°, and z = 4. The ligand was found to be tridentate in a trigonal-bipyramidal coordination geometry with two chloride ligands. There are two independent complex molecules, one of which is hydrogen bonded to the water of crystallization.
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    Synthesis and crystal structure of the heterometallic square-chain polythiometalate: {[W4Ag5S16]2 · [La(DEF)2(DMF)6][La(DEF)4(DMF)4]}n (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 629-633 
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    ISSN: 1572-8854
    Keywords: heterometallic polymeric cluster ; polythiometalate ; synthesis ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complex (NH4)2 WS4 reacts with AgNO3 and La(NO3)3 · 6H2O in a mixture of DEF/DMF (DEF—N,N′-diethylformamide), to give a new heterometallic square-chain polythiometalate {[W4Ag5S16]2 · [La(DEF)2(DMF)6] · [La(DEF)4(DMF)4]}n (1). 1 crystallizes in the monoclinic space group P2/c, a = 19.5534(8), b = 16.9552(6), c = 22.3479(9) Å, β = 106.053(1)°, V = 7120.1(5) Å3, and Z = 2. The anion polymeric chain of 1 can be regarded as an octanuclear cyclic cluster of [W4Ag4S16]4− fragments linked through Ag+ ions. The polymeric chain is extended through the parallel edges of the square unit. The mean W—Ag distance is 2.963(16) Å. The La3+ cations are coordinated by different solvent molecules, the average La—O bond of these large trivalent cations is 2.47(1) Å.
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  • 40
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    Absolute configuration of C23H34O8Si, the product of an asymmetric synthesis involving the Rh(II) catalyzed reaction of a chiral vinyldiazomethane with methyl-2-methyl-3-furoate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 707-711 
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    ISSN: 1572-8854
    Keywords: oxabicyclo[3.2.1]octadiene ; absolute configuration ; asymmetric synthesis ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound under investigation crystallizes in the noncentrosymmetric orthorhombic space group P212121 with a = 7.9358(11), b = 11.0532(13), c = 29.2425(43) Å, volume = 2565.0(6) Å3, and Z = 4. The C23H34O8Si molecule contains three chiral centers (one of which is of known configuration, based upon an (R)-pantolactone auxillary group). We have determined the absolute configuration of this species (via the anomalous dispersion of Si relative to C and O) and show that it is consistent with the known configuration of the (R)-pantolactone moiety.
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    Absolute configuration of C20H30O6Si, a species with a (1R,5R)-8-oxabicyclo[3.2.1]octa-2,6-diene core produced selectivity by the rhodium(II) octanoate catalyzed decomposition of a chiral vinyldiazomethane in the presence of furan (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 713-717 
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    ISSN: 1572-8854
    Keywords: oxabicyclo[3.2.1]octadiene ; absolute configuration ; asymmetric synthesis ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound under investigation crystallizes in the noncentrosymmetric monoclinic space group P21 with a = 9.1798(23), b = 6.6606(18), c = 17.6591(41) Å, β = 94.342(20)° and Z = 2. The C20H30O6Si molecule contains three chiral centers (one of which is of known configuration, based upon an (R)-pantolactone auxiliary group). We have determined the absolute configuration of this species (via the anomalous dispersion of Si relative to C and O) and show that it is consistent with the known configuration of the (R)-pantolactone moiety
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    Synthesis and crystal structure of 1,1′-di(ethylpropionato)-2,2′-biimidazole, a macromolecular precursor (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 765-768 
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    ISSN: 1572-8854
    Keywords: 2,2′-biimidazole ; diester ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 1,1,′-Di(ethylpropionato)-2,2′-biimidazole, C16H22N4O4, crystallizes from ice-cold ethanol in the space group P $$\bar 1$$ , with a = 4.6742(9), b = 9.1119(13), c = 10.175(2) Å, α = 96.22(1), β = 96.29(2), γ = 97.53(1)°, and Z = 1. The molecule crystallizes with coplanar rings and the substituents assume a trans conformation with a center of inversion between the bridging carbon atoms.
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    The crystal and molecular structure of mercury(II) bis(isopropyl)dithiophosphate, Hg[S2P(OPri)2]2, revisited: new comments about its supramolecular self-organization (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 831-836 
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    ISSN: 1572-8854
    Keywords: Hg coordination ; crystal structure ; organomercury derivatives
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of the title compound, Hg[S2P(OPri)2]2, has been determined by single-crystal X-ray diffraction. The compound crystallizes in the centrosymmetric P21/c space group with a = 11.800(1), b = 8.925(2), c = 22.167(2) Å, β = 94.988(7)°, and Z = 4. The same compound has been previously reported but the structure is described there in the space group C2/c. In both cases, one phosphorodithioate moiety acts as a chelating group and the other as a bridging group between neighboring mercury atoms (related to one another by the twofold screw axis), giving rise to an infinite polymer along the direction of the b axis. It turns out that in spite of the difference in space group symmetry, the structures are remarkable similar in that they are formed from infinite polymers of similar geometry. The coordination around the Hg ion shows, however, significant differences, mainly for the bridging Hg—S(4) bond length, which is 0.16 Å smaller than that previously reported.
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    Generation and intermolecular trapping of a cage-annulated cycloalkylidenecarbene (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 329-333 
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    ISSN: 1572-8854
    Keywords: Carbene ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Base-promoted reaction of 11-methylenepentacyclo[5.4.0.02,6.03,10.05, 9]undecan-8-one (5) with diethyl diazomethylphosphonate when performed in the presence of excess cyclohexene, resulted in the formation of the corresponding cycloalkylidenecarbene, 6, which subsequently was trapped in situ to afford 8-methylene-11-(7′-bicyclo[4.1.0]heptylidene)pentacyclo-[5.4.0.02, 6.03, 10.05, 9]undecane (7, obtained in 44% yield as a mixture of exo, endo isomers). Subsequent reaction of 7 with dichlorocarbene (generated under phase transfer catalytic conditions) produced the corresponding mono- and di-:CCl2 adducts [i.e., 8 (64% yield) and 9 (5% yield), respectively]. The structure of 9 was established unequivocally via application of single crystal X-ray analysis: Triclinic, P1¯, a = 6.276(2), b = 8.700(2), c = 18.550(3) Å, α = 76.52(3), β = 87.59(3), γ = 70.88(4)° Z = 2; D calc 1.486 g cm−3.
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  • 45
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    Crystal structure of the addition compound of N,N′-bi(2-pyridylmethyl)-oxamide and complex of manganese with 1,10-phenanthroline (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 623-627 
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    ISSN: 1572-8854
    Keywords: crystal structure ; manganese complex ; disubsituted oxamide ; addition compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of the addition compound, Mn(phen)3(PMoxdH2)(ClO4)2 was established by X-ray crystallography, where PMoxdH2 is N,N′-bi(2-pyridylmethyl)-oxamide. Six nitrogen atoms of the three 1,10-phenanthroline bind to the manganese ion and the oxygen atom of PMoxdH2 is uncoordinated. The addition compound crystallizes in the monoclinic space group C2/c, with lattice parameters a = 23.780(6), b = 11.948(5), c = 18.466(6) Å, β = 117.38(3)°, V = 4659(3) Å3, and Z = 4.
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  • 46
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    Synthesis and crystal structures of two potential gem-di(pyrazolyl)cycloalkane ligands, 1,1-di(pyrazol-1-yl)cyclohexane [C6H10(C3N2H3)2] and 1,1-di(pyrazol-1-yl)cyclopentane [C5H8(C3N2H3)2] (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 659-665 
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    ISSN: 1572-8854
    Keywords: pyrazolyl derivative ; substituted cyclopentane ; substituted cyclohexane ; crystal structure ; bidentate ligand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The species 1,1-di(pyrazol-1-yl)cyclohexane, C12H16N4, crystallizes in the monoclinic space group P21/c with a = 8.340(2), b = 14.281(5), c = 10.153(3) Å, β = 106.86(2)°, and Z = 4. The cyclohexane moiety has the chair conformation. The congener, 1,1-di(pyrazol-1-yl)cyclopentane, C11H14N4, while not isomorphous, also crystallizes in space group P21/c with a = 14.350(2), b = 6.776(1), c = 11.043(2) Å, β = 100.68(1)°, and Z = 4. The cyclopentane ring has a conformation in which four carbon atoms are essentially coplanar, while the fifth (that with the two pyrazolyl substituents) lies 0.63 Å from this plane, resulting in a bend of 41.3° across the C(2)···C(5) vector. The hydrogen atoms in each structure were located directly and their coordinates refined.
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  • 47
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    Synthesis and crystal structure of 4,5-(cis-cyclohexylenedithio)-1,3-dithiole-2-one (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 719-723 
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    ISSN: 1572-8854
    Keywords: synthesis ; crystal structure ; independent molecules
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The x-ray crystal structure of 4,5-(cis-cyclohexylenedithio)-1,3-dithiole-2-one has been determined. Yellow block shaped crystals of C9H10OS4 crystallize in the space group P $${\bar 1}$$ with cell dimensions a = 8.872(4), b = 9.330(8), c = 14.333(12) Å, α = 95.23(7), β = 91.09(5), γ = 107.60(5)°, V = 1124.8(14) Å3, and Z = 4. This compound has two S---S contacts [3.574, 3.610 Å] shorter than 3.70 Å and the usual disordered ethylene moiety [C(3)—C(8)] of the six-membered ring is fixed by the cis-cyclohexylene subsitituent. This means that it may be a new precursor for conducting and strong near-IR absorbing nickel-dithiolenes. Also, it provides the first example of polymorphism of the dmit derivatives and contains two independent molecules I and II in the asymmetric unit.
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    The crystal and molecular structure of 2-S-methylthiouracil (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 725-727 
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    ISSN: 1572-8854
    Keywords: 2-thiouracil derivatives ; crystal structure ; S-methyl-thiouracil ; hydrogen bonding ; structural methylation and metallation effects
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 2-S-Methylthiouracil crystallizes in the triclinic space group P $${\bar 1}$$ with unit cell dimensions a = 5.508(4), b = 7.175(3), c = 8.522(2) Å, α = 80.83(2), β = 80.43(3), γ = 76.86(3)°, and Z = 2. The molecule exists in the crystal in the lactam form and is essentially planar. The molecular packing consists of molecules linked in centrosymmetric hydrogen-bonded pairs. The effects of methylation and subsequent metallation on the 2-thiouracil structure are discussed.
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    Crystal structure and emission study of [(PPh3)2Cu(dmp)-O-(dmp)Cu(PPh3)2]2+ (dmp = 2,9-dimethyl-1,10-phenanthroline) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 797-802 
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    ISSN: 1572-8854
    Keywords: synthesis ; crystal structure ; Cu(I) complex ; μ-oxo-bis(2,9-dimethyl-1,10-phenanthroline) ; luminescence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis and crystal structure of a luminescent dinuclear Cu(I) complex as the BF− 4 salt from toluene and methanol containing triphenylphosphine and μ-oxo-bis(2,9-dimethyl-1,10-phenanthroline) is described. The coordination geometry about the Cu(I) center is distorted tetrahedral. An unusual feature of the structure is a pseudo-inversion center located near the oxygen atom at approximately 0.51, 0.26, 0.25, such that all of the atoms except for the oxygen are related by a pseudo-inversion center to another atom in the same molecule, as well as by crystallographic inversion to the other molecule in the unit cell. The complex displays luminescence from an MLCT band in fluid solution and emission from both a metal-centered charge-transfer and intraligand (phenanthroline) state at 77K in a chloroform snow. Crystal data: triclinic, P $$\bar 1$$ , a = 15.163(2), b = 16.985(2), c = 18.731(2) Å, α = 106.458(9), β = 91.416(8), γ = 102.557(9)°, V = 4496(1) Å3, and Z = 2.
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  • 50
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    Structural analysis of tris(tetra-n-butylammonium) hexakisisothiocyanatoyttrate(III) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 729-733 
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    ISSN: 1572-8854
    Keywords: crystal structure ; yttrium complexes ; isothiocyanate complexes ; octahedral coordination
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structural analysis of [(n-C4H9)4N]3[Y(NCS)6] (I) using single-crystal diffraction data and full-matrix least squares refinement has been carried out. The hexaisothiocyanate complex crystallizes in the centrosymmetric triclinic space group P $${\bar 1}$$ (No. 2) with unit cell constants of a = 12.431(1), b = 12.866(1), c = 22.750(2) Å, α = 90.78(1), β = 92.05(1), γ = 96.67(1)°, and Z = 2. The molecular unit consists of three separate cationic tetra-n-butylammonium groups and an independent hexakisisothiocyanatoyttrate anionic group in which the six thiocyanate ligands are octahedrally coordinated through the N atom to the Y central ion. Selected bond distances and angles are presented as well as the synthesis and peripheral studies of (I).
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    Synthesis and structure of bis(dibenzoylmethane)copper(II) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 793-796 
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    ISSN: 1572-8854
    Keywords: copper complex ; crystal structure ; dibenzoylmethane complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Bis(dibenzoylmethane)copper Cu(dbm)2 has been synthesized and its structure determined by x-ray diffraction. It crystallizes in the monoclinic system, space group C2/c, with a = 25.936(3), b = 5.9806(8), c = 16.4908(16) Å, β = 114.998(8)°, Z = 4, and V = 2318.3(4) Å3. The Cu atom is located at a symmetry center and surrounded by four O atoms from two dbm molecules to form a plane square coordination environment. On the a–c plane the molecules are orderly arranged to result in a layered structure, and parallel to crystallographic b-axis they form a molecular column due to the effect of aromatic stacking.
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    Crystal structure of [WBr2(CO)(PPh2Cy)2(η2-MeC2Me)]·CH2Cl2 (Cy = cyclohexyl) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 809-812 
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    ISSN: 1572-8854
    Keywords: tungsten(II) ; dibromo ; carbonyl ; diphenylcyclohexylphosphine ; but-2-yne ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [WBr2(Co)(PPh2Cy)2(η2-MeC2Me)]·CH2Cl2 (Cy = cyclohexyl) crystallizes in the monoclinic space group, P21/n, with a = 10.606(12), b = 23.11(3), c = 18.19(2) Å, β = 106.070(10) Dcalc = 1.610g cm−3 for Z = 4. The tungsten coordination geometry can best be considered as a distorted octahedron, with the but-2-yne ligand occupying one coordination site, which has a trans-Br(2) group. The equatorial plane is made up of trans-PPh2Cy groups, with the bromo and carbonyl ligands occupying the other two sites.
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    1-(Ethoxymethyl)-6-(phenylselenyl)-5-ethyl uracil: a nucleoside analog (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 837-839 
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    ISSN: 1572-8854
    Keywords: acyclonucleoside analog ; 6-(phenyl selenyl) uracil derivative ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound, 1-(ethoxymethyl)-6-(phenylselenyl)-5-ethyl uracil, crystallizes in the monoclinic space group P21/n with unit cell parameters a = 5.304(1), b = 21.261(4), c = 13.996(4) Å, β = 94.30(2)°, and Z = 4. The acyclic chain C1′, O4′, C4′, C5′ is in fully extended form and nearly perpendicular to the uracil base. The molecules are held together by van der Waal's forces.
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    Mercury(II) halide complexes with N-donor organic ligands: crystal and molecular structure of HgI2R, R = 1,10-phenanthroline, 2,9-dimethyl-1,10-phenanthroline, bipyridine (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 825-830 
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    ISSN: 1572-8854
    Keywords: mercury halides ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis, characterization and single crystal X-ray structure of three compounds of general formula HgI2R (R = phen[1], dmph [2] and bpy[3]) are presented. The crystal data for the three compounds are: [1], triclinic, space group P $$\bar 1$$ (#2) a = 7.902(2), b = 9.479(2), c = 10.002(2) Å, α = 91.45(2), β = 111.34(2), γ = 100.82(2)° [2]: monoclinic, space group C2/c (#15) a = 15.670(3), b = 11.640(2), c = 9.730(2) Å, β = 114.57(3)° [3]: triclinic, space group P1¯ (#2) a = 9.472(1), b = 9.507(1), c = 9.023(1) Å, α = 98.46(1), β = 102.89(1), γ = 119.62(1)°. Compounds [1] and [2] are monomers, with highly distorted tetrahedral environments around Hg. In [3], instead, there is a significant intermolecular I···Hg interaction leading to the formation of softly bound dimers linking two pentacoordinated cations. The structure is compared with related ones in the literature.
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    Synthesis and crystal structure of [WI(CO)(cis-dppen) η2-MeC2Me)2]I·CH2Cl2 {cis-dppen = bis(diphenylphosphino)ethene} (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 907-911 
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    ISSN: 1572-8854
    Keywords: tungsten(II) ; Iodo ; carbonyl ; cis-bis(diphenylphosphino)ethene ; but-2-yne ; cationic ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complex [WI(CO)(cis-dppen)(η2-MeC2Me)2]I·CH2Cl2(1) is prepared as a by-product from the reaction of equimolar quantities of [WI2(CO)(NCMe)(η2-MeC2Me)2] and cisdppen {dppen = bis(diphenylphosphino)ethene}. Complex 1, [WI(CO)(cis-dppen)(η2-MeC2Me)2]I·CH2Cl2 crystallizes in the triclinic space group $${\text{P}}\bar 1$$ with a = 11.189(13), b = 12.331(14), c = 15.395(17) Å, α = 83.61(1), β = 86.06(1), γ = 64.48(1)°, U = 1904 Å3, and Z = 2. The metal environment in the cation can best be considered as a distorted octahedron with the two but-2-yne groups taking up individual sites trans to phosphorus atoms of the dppen ligand. The coordination sphere is completed by mutually trans-carbonyl and iodide groups.
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    4-(1,4-Dimethoxy-2-naphthyl)-4- hydroxycyclohexanone and its ethylene ketal (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 955-959 
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    ISSN: 1572-8854
    Keywords: crystal structure ; intramolecular hydrogen bond ; 4-(1,4-dimethoxy-2-naphthyl)-4-hydroxycyclohexanone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Intramolecular hydrogen bonding in the solid state is reported for the title compound and its ethylene ketal. The title compound crystallizes in the triclinic space group, $$P\bar 1$$ with a = 9.590(3), b = 9.620(3), c = 9.844(2) Å, α = 97.67(2), β = 105.25(2), γ = 115.47(2), and Z = 2. The ethylene ketal crystallizes in the monoclinic space group, P21/c, with a = 7.230(2), b = 22.639(3), c = 10.839(2) Å, β = 101.47(2), and Z = 4. The intramolecular hydrogen bond length of 1.79 Å is the same for the ketone and ketal, but the O—H---O valence angle is 144° for the ketone and 165° for the ketal.
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    Crystal structure and physical characterization of neotame methanol solvate (1999)
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    Journal of chemical crystallography 29 (1999), S. 967-975 
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    ISSN: 1572-8854
    Keywords: neotame ; crystal structure ; methanol solvate ; thermal analysis ; powder X-ray diffractometry ; 13C solid-state nuclear magnetic resonance spectroscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of the methanol solvate (empirical formula: 2C20H30N2O5·3CH3OH) of a new dipeptide sweetener, neotame (N-(3,3-dimethylbutyl)-L-α-aspartyl-L-phenylalanine 1-methyl ester), has been determined. Crystal data: a = 9.8989(1), b = 18.1331(1), c = 27.5725(1) Å, orthorhombic, space group P212121, with Z = 4. Each unit cell includes 8 neotame and 12 methanol molecules. Disorder exists in one neotame molecule and one methanol molecule. The crystals were characterized by the following techniques: hot-stage microscopy (HSM), Karl-Fischer titrimetry (KFT), powder X-ray diffractometry (PXRD), differential scanning calorimetry (DSC), thermogravimetry (TGA), 13C solid-state nuclear magnetic resonance (SSNMR) spectroscopy. Under HSM at a heating rate of 10°C/min in silicone oil, the sample melts at 64–84°C and liberates bubbles at 71–86°C. DSC in open pans shows two overlapping endotherms at 56 and 71°C, probably due to melting and desolvation, respectively. TGA in open pans shows 5.9% weight loss due to desolvation below 70°C. Under house vacuum (23 mm Hg) over phosphorus pentoxide at 23°C, the methanol solvate produces pure amorphous anhydrate, which converts to crystalline neotame monohydrate in the presence of moisture.
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    A study of two geometric isomers of 1,1′-bi-3-cyanocyclohex-2-enylidene (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 977-982 
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    ISSN: 1572-8854
    Keywords: cyano allyl radical ; thermal arrangement ; crystal structure ; isomer ; NMR, MM2
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The preparation, separation, crystal structure and 1H NMR spectra are reported for the two geometrical isomers of 1,1′-bi-3-cyanocyclohex-2-enylidene. The E-isomer crystallized as thin plates in the monoclinic space group P21/n with a = 5.3980(5), b = 7.0757(7), c = 15.300(2) Å, β = 94.571(2)°, and Z = 2. The structure has symmetry C2h. The Z-isomer crystallized as needles in the triclinic space group P1¯ with a = 7.0790(6), b = 11.3155(9),c = 15.386(1) Å, α = 104.943° β = 90.164(2)°, γ = 99.494(2)°, and Z = 4. The compound crystallized with two molecules per asymmetric unit. In C6D6, 1H NMR signals of the 2-vinyl protons appear almost identical. However, in a mixture of C6D6 and pyridine-d 5, the 2-vinyl protons can be distinguished. The structures compare favorably with MM2 calculations.
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    X-ray crystal structure of tetraaquabis (xanthosinato)nickel(II) hexahydrate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1009-1013 
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    ISSN: 1572-8854
    Keywords: crystal structure ; nickel complex ; xanthosine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complex [Ni(XsH−1)2(H2O)4]·6H2O (XsH−1: xanthosinate) was isolated from the reaction of nickel carbonate with xanthosine in aqueous solution. The octahedral coordination is supported by the reflectance measurements. Single-crystal X-ray diffraction studies show that the crystals belong to the triclinic P1 space group, with a = 7.152(1), b = 8.830(1),c = 13.783(1) Å, α = 82.024(1)°, β = 86.155(1)°, γ = 70.900(1)°, and D = 1.643 mg/m3, forZ = 1. Nickel is six coordinate with four water molecules, and two N7 atoms from xanthosinato ligands. A complicated hydrogen-bonding network is present, all possible donors taking part in it.
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    Reactions of [Mn2(μ-pyS)2(CO)6] (pySH=pyridine-2-thiol) with triphenylphosphine (PPh3), diphenylphosphine (PHPh2) and bis(diphenylphosphino)methane (dppm): X-ray crystal structure of [Mn(pyS)(η1-dppm)2(CO)2] (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1001-1007 
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    ISSN: 1572-8854
    Keywords: manganese ; pyridine-2-thiolate ; bis(diphenylphosphino)methane ; carbonyl ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The dimeric complex [Mn2(μ-pyS)2(CO)6] (1) reacted with 2 M equivalents of both PPh3 and PHPh2 to give the respective monomeric phosphine complexes [Mn(pyS)(L)(CO)3][L = PPh3 (2) and PHPh2 (3)]; with 4 M equivalents of dppm, it yielded the complex [Mn(pyS)(η1-dppm)2(CO)2](4). An X-ray structure determination of 4 shows that it crystallizes in the monoclinic space group P21/n with a = 11.027(3), b = 24.984(7), c = 18.379(5) Å, β = 99.870(8)°, V = 4988(2) Å3, and Z = 4. The complex has an octahedral geometry with the chelating pyS ligand and two CO groups occupying the equatorial sites and the two monodentate dppm ligands lying in the trans positions.
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    Crystal structure of 1,3-di-2-[(4-methoxyphenyl)-1-diazenyl]imidazolidine (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1037-1041 
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    ISSN: 1572-8854
    Keywords: crystal structure ; imidazolidine ; triazene ; bis-triazene ; methoxy substituent ; π-π stacking
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 1,3-di-2-[(4-methoxyphenyl)-1-diazenyl]imidazolidine (1) has been determined by single crystal X-ray diffraction analysis. This novel bis-triazene assumes a close-to planar structure with the aryltriazene moieties aligned in diametrically opposed directions, unlike many other previously reported bis-triazenes, which assume a folded structure. The structure of 1 is compared with the closely related, non-cyclic bis-triazene analogue (2), and also compared with the structure of the simple mono-triazene (3). Crystal data: 1 C17H20N6O2, monoclinic, space group C2/c, a = 34.948(3), b = 5.925(5), c = 8.1225(6) Å, β = 100.8420(10)°, and V = 1652.0(2) Å3, for Z = 4.
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    Crystal structure of 2-{(R)-1-hydroxy-1-[(2S)-1-tritylaziridin-2-yl] methyl}acrylate and spectroscopic properties of the (R,S) and (S,S) stereoisomers (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1053-1056 
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    ISSN: 1572-8854
    Keywords: crystal structure ; tritylaziridine ; acrylate ; spectroscopic features
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of 2-{(R)-1-Hydroxy-1-[(2S)-1-tritylaziridin-2-y1] methy1}acrylate is described. Crystal data: C26H25NO3, orthorhombic, space group P212121, a = 9.6954(5), b = 13.1458(5), c = 16.7885(7) Å, V = 2139.8(2) Å3, Z = 4. The (R,S) diastereomer shows an intramolecular hydrogen bonding N···H—O under formation of a five-membered ring with N···O distance of 2.664 Å. IR, 1H NMR and 13C NMR data are discussed. The 1H NMR of the (R,S) diastereomer shows a singlet- whereas the (S,S) diastereomer exhibits a doublet-pattern for the hydroxyl proton.
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    Absolute configuration of C27H41NO8Si, the diastereoselective product of the rhodium(II) octanoate catalyzed decomposition of a chiral vinyldiazomethane in the presence of 2-acetylpyrrole: A structural study rendered difficult by disorder of a “heavy” atom (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1061-1066 
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    ISSN: 1572-8854
    Keywords: absolute configuration ; asymmetric synthesis ; azabicyclo[3.2.1]octadiene ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallized in space group P21 with a = 12.647(8), b = 14.542(4), c = 17.077(16) Å, β = 97.51(6)°, and D calc = 1.143 mg/m3 for Z = 4. There are two chemically-equivalent C27H41NO8Si molecules in the crystallographic asymmetric unit. Each contains three chiral centers, one of known absolute configuration based upon the (R)-pantolactone,—CH*—CMe2—CH2—O—CO—, moiety. The structural study was greatly complicated by disorder of an —OSiMe2(t-Bu) group in one molecule.
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    Crystal structure of [Co(bipy)(maleato) (H2O)3]·H2O (bipy = 2,2′-bipyridine) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1081-1084 
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    ISSN: 1572-8854
    Keywords: cobalt(II) ; bipyridine ; maleato ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Preparation of the mononuclear cobalt(II) complex, [Co(bipy)(maleato) (H2O)3]·H2O (1) where bipy = 2,2′-bipyridine, were accomplished by reaction of an aqueous solution containing sodium maleate and an ethanolic solution of Co(NO3)2·6H2O and bipy. The crystal structure of complex (1) was determined by X-ray crystallography. The complex crystallizes in the monoclinic space group P21/n with a = 9.477(3), b = 7.660(2), c =23.526 (3) Å, β = 97.64(2)°, V = 1692.6(6) Å3, and Z = 4. The structure consists of discrete mononuclear cobalt molecules. The cobalt atom is six-coordinate and presents a slightly distorted octahedral geometry, which consists of the two imine N atoms of bipy, a terminal carboxylate O atom from maleato ligand, and a water O atom in the basal plane with Co—N bond distances of 2.116(2) and 2.124(3) Å and Co—O distances of 2.075(2) and 2.088(2) Å, respectively. The relatively shorter Co—O distances are due to the trans effect of the bipy ligand. The octahedral coordination is completed the other two water molecules. The coordinate and the lattice water molecules were identified by TG study.
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    Crystal and molecular structure determination, TGA, DTA, and infrared and Raman spectra of rubidium nitroprusside monohydrate, Rb2[Fe(CN)5NO]·H2O (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 75-80 
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    ISSN: 1572-8854
    Keywords: Rubidium nitroprusside monohydrate ; crystal structure ; properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of rubidium nitroprusside monohydrate, Rb2[Fe(CN)5NO] · H2O, has been determined from X-ray diffraction data and refined using direct and Fourier methods to R = 0.066 and Rw = 0.075, employing 1894 independent reflections with I 〉 3 (I). The substance crystallizes in the monoclinic space group C2/c (C 6 2h), with a = 13.987(2), b = 10.241(1), c = 18.151(1) Å, β = 110.94°, and Z = 8. Anions are located at C 1 sites, one per asymmetric unit, and are slightly distorted octahedra. TGA, DTA, FTIR, and FTIR Raman results were interpreted on the basis of the formula of the compound, its crystal structure, and the behavior of other nitroprussides.
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    Crystal structure of methyl trans-3-[(2-(methoxycarbonyl)phenyl)sulfinyl]acrylate: a product resulting from trapping of a sulfenic acid by methyl propiolate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1133-1136 
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    ISSN: 1572-8854
    Keywords: crystal structure ; methyl propiolate ; sulfenic acid ; vinyl sulfoxide ; leinamycin
    Source: Springer Online Journal Archives 1860-2000
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    Notes: Abstract Evidence for the formation of unstable sulfenic acids (RSOH) as reaction intermediates is commonly provided by trapping these compounds with methyl propiolate. The crystal structure of a vinyl sulfoxide derived from the trapping of a sulfenic acid with methyl propiolate is reported here. The title compound C12H12O5S crystallized in the triclinic space group,P1¯ with unit cell parameters: a = 6.1600(4), b = 9.7286(7), c = 11.3698(8) Å, α = 112.024(1), β = 94.662(1), γ = 95.429(1)°, and Z = 2.
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    9[1-(2-Hydroxy ethoxy)-3-hydroxy propyl] guanine: a nucleoside analog (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1137-1139 
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    ISSN: 1572-8854
    Keywords: acyclic nucleoside analog ; acyclovir ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound 9[1-(2-hydroxy ethoxy)-3-hydroxy propyl] guanine crystalizes in the tetragonal system, space group P41212 with a = 11.106 (1), c = 20.558 (2) Å, and Z = 8. The acyclic chain C1′¯O1′¯C4′¯C5′¯O5′ is in the extended configuration and the glycosidic torsion angle (C4¯N9¯C1′¯O1′) is 125.1 (8)°. The molecules are held together by Van der Waal's forces.
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    Structure, thermal behavior, and IR investigation of a new organic sulfate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1205-1210 
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    ISSN: 1572-8854
    Keywords: organic sulfate ; crystal structure ; DTA/TG/DSC ; vibrational spectra
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [1-(2-ammoniumethyl) piperazinium] sulfate denoted PIPS has a monoclinic unit cell. The parameters are: a = 6.6521(3), b = 7.8756(5), c = 19.197(1) Å, β = 94.43(1)° and the space group is P21/n. The preparation, thermal analysis, and IR spectrometric investigation are described. The PIPS structure exhibits a complex three-dimensional network of H-bonds connecting all its components.
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    Structure of de-oxy corticosterone-21-hemisuccinate (1999)
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    Journal of chemical crystallography 29 (1999), S. 1265-1269 
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    ISSN: 1572-8854
    Keywords: crystal structure ; corticosteroid ; de-oxy corticosterone-21-hemisuccinate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Synthetic glucocorticoid de-oxy corticosterone-21-hemisuccinate crystallizes in the monoclinic space group C2, with a = 21.896(2), b = 7.596(3) and c = 14.291(3) Å, Z = 4. Ring A is a distorted half chair, ring B and C are in the chair configuration and ring D is in the 14α-half chair configuration. The ring junctions B/C and C/D are both trans. The molecule as a whole is slightly convex towards the β-side, with an angle of 18.4(2)° between the C(10)--C(19) and C(13)--C(18) vectors. In addition to packing and stacking interaction, intermolecular hydrogen bonding plays an important role in structural association. The X-ray structure determination of the title compound was undertaken to study its high binding affinity to serum protein like globulin.
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    Synthesis and crystal structure of 1-phenyl-3-methylthio-4-imino-5-allyl-pyrazolo[3,4-d]pyrimidine (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1291-1293 
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    ISSN: 1572-8854
    Keywords: crystal structure ; pyrazolo[3,4-d]pyrimidine ; fungicidal activity
    Source: Springer Online Journal Archives 1860-2000
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    Notes: Abstract The title compound 1-phenyl-3-methylthio-4-imino-5-allyl-pyrazolo[3,4-d]pyrimidine, C15H15N5S, has been synthesized and characterized by x-ray diffraction: orthorhombic, space group Pbca, with a = 17.3480(9), b = 8.5022(5), c = 19.8132(11) Å. Z = 8, V = 2922.4(3) Å3. The compound shows a fully delocalized pyrazolo[3,4-d]pyrimidine system with a sp2 hybridization of the N(4) atom.
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    Crystal structure of [Mn(II)(phen)(ClCH2COO)2]n (phen = 1,10−phenanthroline) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 199-201 
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    ISSN: 1572-8854
    Keywords: Manganese (II) ; phenanthroline ; polymeric complex ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
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    Notes: Abstract A new polymeric manganese(II) complex, [Mn(II)(phen)(ClCH2COO)2]n, was obtained from the reaction of Mn(ClCH2COO)2 with phen and its structure was determined by x-ray crystallography. The complex crystallizes in the monoclinic system, space group C2/c with a = 19.706(4), b = 11.381(3), c = 7.482(3) Å, β = 94.01(3)°, V = 1674.0(8) Å3, and Z = 4. The structure consists of an infinite chain. The manganese atom is located on a twofold axis and presents a distorted octahedral coordination sphere, which consists of the two N atoms of a phen ligand (Mn—N = 2.304(2) Å) and four carboxylato ligands. The Mn···Mn distance within the chain is 4.53 Å, and the carboxylato bridges present a syn-anti conformation.
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    Synthesis of a new dibenzo-14-crown-4 lariat ether and structure of its sodium perrhenate complex (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1255-1259 
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    ISSN: 1572-8854
    Keywords: crown ether ; crystal structure ; lariat ; sodium
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A dibenzo-14-crown-4 ether with a novel monooxyacetone sidearm is prepared and its structure with sodium perrhenate is determined. The structure crystallizes in P21/c with cell dimensions: a = 8.107(2) Å, b = 28.138(3) Å, c = 10.293(2) Å, and β = 104.173(9)°; giving a volume of 2276.6(7) Å3. This structure is compared to other sodium complexes of dibenzo-14-crown-4 lariat ethers and is found to be the only one with intramolecular bonding between the sidearm and the cation. Possible reasons for this observation are discussed.
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    Structure of de-oxy corticosterone (4-pregnen-21-ol-3,20-dione) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1271-1275 
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    ISSN: 1572-8854
    Keywords: crystal structure ; pregnen ; progestin ; 4-pregnen-21-ol-3,20-dione
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Synthetic steroid de-oxy corticosterone (4-pregnen-21-ol-3,20-dione) crystallizes in the monoclinic space group P21, with a = 11.706(2); b = 11.171(3), c = 13.966(3) Å, and β = 100.94(2)°, Z = 4. Ring A tends to acquire the conformation of a half-boat, rings B and C are in the chair configuration, and ring D is a 13β, 14α-half-chair. The ring junctions B/C and C/D are both trans, whereas the ring junction A/B is quasi-trans. The molecule as a whole is slightly convex toward the β-side, with an angle of 16.01(0.36)° between the C10--C19 and C13--C18 vectors. Molecular packing and stacking interactions play the major role in structural association. Cohesion of the crystal is due to van der Waals interactions.
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    Polymeric copper(II)-orotato complexes, [(C5H2N2O4)Cu(H2O)2]n (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 565-569 
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    ISSN: 1572-8854
    Keywords: orotic acid complex ; crystal structure ; copper(II) complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound [(C5H2N2O4)Cu(H2O)2]n has been synthesized and its structure determined at room temperature. The primary coordination sphere at the Cu ion is square planar with the orotate dianion coordinating at the metal through heterocyclic nitrogen atom and adjacent oxygen of the carboxylate group, the remaining coordination sites are occupied by two water molecules. The orotate dianion is tricoordinated to one copper via N1 and one oxygen of the carboxylato group and to another copper atom via the other oxygen of the carboxylato group. The coordination at copper is extended to five by the other oxygen of the carboxylate group of another orotate molecule. Thus, the molecules are associated to form chains, the carboxylato group acting as a bridge between the metal ions, the orotato-group being tridentate. The title compound crystallizes in the monoclinic space group. P21/n1 with a = 9.515(5), b = 6.925(2), c = 11.861(6) Å, β = 95.285(9)°, D calc = 2.17 g cm−3, and z = 4.
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    X-ray crystal structure and spectroscopy of a pseudo-square pyramidal Cu(II) complex, trans-dinitratotetrakis (trans-4-styrylpyridine)copper(II) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 413-420 
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    ISSN: 1572-8854
    Keywords: pseudo-square pyramidal Cu(II) complex ; trans-4-styrylpyridine ; crystal structure ; IR, electronic, and EPR spectra
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Single crystals of the title Cu(II) complex, [Cu(stpy)4(ONO2)(ONO2)′] [stpy = trans-4-styryl-pyridine] have been prepared and characterized by elemental and thermal analyses, IR, electronic and EPR spectral measurements, and X-ray crystal structure determination. The complex crystallizes in the monoclinic space group P21/c with unit-cell parameters, a = 12.985(2), b = 22.865(8), c = 17.024(10) Å, β = 112.29(3)°, and Z = 4. The structure consists of discrete monomeric units of [Cu(stpy)4(ONO2)(ONO2)′]. The equatorial positions of the Cu(II) polyhedron are occupied by nitrogen atoms of the four stpy ligands and the axial positions by the oxygens of two unidentate nitrate anions. One of these oxygens is at rather longer distance [2.609(3) Å] and may be considered to be semicoordinated. If this semibond is ignored, the coordination geometry lies closer to an idealized square pyramid than to the trigonal bipyramid geometry. IR spectra reveal nitrogen coordination from stpy and asymmetry in the monodentate oxygen binding of the two nitrate ligands. The optical reflectance band at 600 nm suggests pseudo-square-based pyramidal geometry around Cu(II). Well-resolved Cu(II) hyperfine features in the EPR spectra reveal the absence of exchange interactions between adjacent copper centers. Optical and EPR spectra of a methanolic solution of the complex indicate solvent interactions. Thermogravimetric analysis shows the complex to be stable up to 175°C.
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    Molecular structure of 1-phenyl-1-dimethylamino-4,4-bis(trimethylsilyl)-2-aza-3λ3-phosphabutadiene-1,3 (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 475-480 
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    ISSN: 1572-8854
    Keywords: crystal structure ; ab initio calculations ; conjugation ; phosphabutadienes
    Source: Springer Online Journal Archives 1860-2000
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    Notes: Abstract The crystal and molecular structure of 1-phenyl-1-dimethylamino-4,4-bis(trimethylsilyl)-2-aza-3λ3-phosphabutadiene-1,3, Me2N(Ph)C=N—P=C(SiMe3)2 (1), has been determined. Crystal data: triclinic, P1¯, a = 8.975(4), b = 10.001(5), c = 12.440(6) Å, α = 79.04(4), β = 77.98(4), γ = 73.07(4)°, V = 1034.7 Å3, Z = 2, and D c = 1.08 g cm−3. The main geometrical parameters of 1 as well as ab initio (HF/6-31+G**) calculations of the model systems show no clear evidence of high efficiency of the π(C=N)—π (P=C) conjugation.
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    Synthesis and crystal structure of 1-(4-bromobenzyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 493-496 
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    ISSN: 1572-8854
    Keywords: contrast agents ; crystal structure ; ortho ester
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 1-(4-Bromobenzyl)-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane, C13H15BrO3, has been synthesized from 4-bromophenylacetic acid chloride via the oxetan ester (3-methyl-3-oxetanyl)methyl-2-(4-bromophenyl)acetate. The crystal structure of the title compound has been determined at low temperature (120 K), by X-ray diffraction methods. This compound crystallizes in the monoclinic space group P21/n (No. 14), Z = 4, with lattice parametersa = 6.019(5), b = 20.990(5), c = 9.915(2) Å, and β = 101.29(1)°.
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    Structure refinement and Raman spectrum of silver azide (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 561-564 
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    ISSN: 1572-8854
    Keywords: crystal structure ; Raman spectrum ; silver azide ; azide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Silver nitrate reacts with sodium azide to give white powdery silver azide, which can be crystallized in aqueous ammonia. The compound belongs to orthorhombic space group Ibam with a = 5.600(1), b = 5.980(6), c = 5.998(1) Å, and Z = 4. The layer-type structure is constructed from edge-sharing regular rectangles, each composed of silver atoms at its vertices with an enclosed azide anion in a tilted orientation. The linear and asymmetrical structure of the azide anion in crystalline silver azide has been confirmed by its Raman spectrum.
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    Structure of adamantan-1-ammonium 1-adamantanecarboxylate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 845-848 
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    ISSN: 1572-8854
    Keywords: crystal structure ; centrosymmetric ; aminoadamantane derivative ; antiviral ; dispiro compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Adamantan-1-ammonium 1-adamantanecarboxylate, C21H33NO2 (I) is a novel dispiro-type compound. Aminoadamantane derivatives, in which the spiro carbon atoms are part of heterocyclic rings, are of potential interest as biological active substances and antiviral agents. Complex (I) crystallizes in the centrosymmetric space group C2/c (No. 15) with eight molecules in the unit cell with a = 25.227(4), b = 6.527(1), c = 22.489(4) Å, and β = 90.75(1)°. The two spiro units are a 1-adamantylammonium cation and a 1-adamantane carbonyloxy anion. The complex units are stabilized by a network of intermolecular carbonyloxy-to-amine hydrogen bonding and van der Waals cohesive forces. Germane bond lengths are: C—N = 1.479(9) and C—O (mean) = 1.25(2) Å.
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    Structural characterization of a series of cyclohexaphosphates: M0.5((C6H5CH2)2NH2)5P6O18·H2O (M = Co, Cu, Cd) (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 891-899 
    Details
    ISSN: 1572-8854
    Keywords: cyclohexaphosphates ; organometallic compound ; crystal growth ; X-ray diffraction ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Three new cyclohexaphosphates with general formula M0.5((C6H5CH2)2NH2)5P6O18·H2O (M=Co, Cu, Cd) are reported. They crystallize with monoclinic unit-cells and are isotropic. We have determined their structure from the salt M=Co. This later exhibits the following unit-cell parameters: a = 22.739(5), b = 17.682(3), c = 18.342(3) Å, β = 91.22(1)°, Z = 4,P21/n, V = 7373 Å3, and Dx = 1.373 g cm−3. The atomic arrangement can be described as layers containing P6O18 ring anions and CoO6 octahedra spreading in the (101) planes and intercalated by the dibenzylammonium groups and the water molecules. Synthesis and characterization by X-ray diffraction, IR absorption, and TA are described.
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    The structural characterization of YbI2(DME)3 (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1107-1110 
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    ISSN: 1572-8854
    Keywords: crystal structure ; ytterbium ; lanthanide ; coordination complex
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The preparation and structural characterization of [YbI2(DME)2] are reported. The complex crystallizes in the triclinic space group P 1¯: a = 13.0094 (10), b=14.504(3), c = 14.668 (3) Å, α = 115.281(10) β = 106.74(2), γ = 105.97(2)°. The metal center of the complex exhibits a distorted pentagonal bipyramidal coordination geometry which involves a rare example of a monodentate DME ligand.
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    Crystal structure of phenyl-substituted cyclopentenes (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1127-1132 
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    ISSN: 1572-8854
    Keywords: crystal structure ; phenyl-substituted cyclopentenes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of two stereoisomers of tetraphenyl- and pentaphenyl-substituted cyclopentenes 1 and 2 have been determined by X-ray analysis. An envelope conformation 1E has been ascertained for the cis isomer 1a, whereas the cis, cis isomer 2a, which crystallizes in two different space groups, P1¯ and P21/n, displays a twisted 2T1 conformation. The phenyl substituents are all tilted with respect to the cyclopentene ring in both structures. Compound 1a crystallizes in the space group P21/a with a = 18.553(3), b = 6.006(2), c = 19.355(5), β = 102.67(4)°, and V = 2104.2(g) Å3 for Z = 4; compound 2a I crystallizes in P21/n with a = 10.064(2), b = 20.756(5), c = 12.245(3) Å, β = 95.21(2)°, and V = 2547(1) Å3 for Z = 4; compound 2aII crystallizes in P1¯ with a = 10.117(3), b = 11.750(2), c = 12.359(2) Å, α = 111.25(2), β = 94.84(2), γ = 108.78(2)°, and V = 1262.3(6) Å3 for Z = 2.
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    Self-assembly in transition metal complexes: structural characterization of a copper histamine nitrate [Cu(II)(him)2(NO3)2] (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1153-1155 
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    ISSN: 1572-8854
    Keywords: copper (II) ; histamine ; self-assembly ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new monomeric copper (II) complex with histamine (him), [Cu(II)(him)2(No3)2], has been prepared by the reaction of Cu(NO3)2 with histaminium dichloride and its structure was determined by x-ray crystallography. The complex crystallizes in the triclinic system, space group $$P\bar 1$$ with a = 5.7238(4), b = 8.7094(7), c = 9.2481(11) Å, α = 69.693(8), β = 73.242(7), γ = 71.050(7)°, V = 400.84(6) Å3, and Z = 1. The structure consists of discrete [Cu(II)(him)2(NO3)2] molecules in which the metal atom is centrosymmetrically coordinated by two histamine ligands forming an equatorial plane with Cu–N(imidazole ring) being 2.032(2) and Cu–N(NH2 group) being 2.023(2) Å. Two O atoms from nitrate anions coordinate on the elongated axial positions with Cu–O being 2.549(2) Å. In the crystal structure, the molecules are organized by hydrogen bonds forming a two-dimensional network.
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    14-Hydroxy-14-phenyldibenzo[a,j]xanthene as a lattice host: crystal and molecular structure of its (1:1) complex with diethyl ether (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1179-1186 
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    ISSN: 1572-8854
    Keywords: xanthenol ; complex ; crystal structure ; H-bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound 14-hydroxy-14-phenyldibenzo[a,j]xanthene 1 formed a (1:1) complex with diethyl ether. 1,4-Dioxane was also enclathrated, but with a variable stoichiometric ratio. Single crystal X-ray crystallography was used to elucidate the crystal structure of the 1·diethyl ether complex. Crystals are orthorhombic with space group P212121, a = 8.532(3), b = 15.040(4), c = 18.491(5) Å, V = 2373(1) Å3, d c = 1.256 g/cm3, and Z = 4. Host and guest molecules were found to associate via hydrogen bonds, with the guest molecules residing in undulating channels lined by host molecules.
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    Synthesis, crystal structure and properties of square-planar acetato{[(4-methylimidazol-5-yl)methylene]histamine} copper(II) perchlorate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 409-412 
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    ISSN: 1572-8854
    Keywords: copper(II) ; Schiff base ; polymidazole ; crystal structure ; properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The square-planar complex [Cu(MIMH)(CH3CO2)](ClO4) (1) (MIMH = [(4-methylimidazol-5-yl)methylene]histamine) was prepared and structurally characterized. Complex 1 crystallizes in the monoclinic space group P21/n with a = 10.5331(10), b = 12.6177(10), c = 12.9773(10) Å, β = 107.710(10)°, V = 1643.0(2) Å3, and Z = 4. Single-crystal X-ray analysis reveals that the copper(II) atom in 1 has a distorted square-planar environment defined by three nitrogen atoms from the Schiff base ligand and one oxygen atom from the acetate group. The Cu—N bond lengths range from 1.950(3) to 2.015(3) Å and the Cu—O(1) bond length is 1.952(2) Å. The electronic spectra of 1 in aqueous solutions indicates that 1 forms adducts of square-pyramidal geometry with H2O. Cyclic voltammetry of 1 in DMF solution shows that there is some degradation of 1 upon reduction.
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    Crystal and molecular structure of the symmetrical bidentate ligand 3,3-di(1-pyrazolyl)pentane, CH3CH2C(C3H3N2)2CH2CH3 (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 463-467 
    Details
    ISSN: 1572-8854
    Keywords: pyrazolyl derivative ; substituted pentane ; crystal structure ; bidentate ligand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the centrosymmetric space group C2/c with a = 14.4005(23), b = 7.0494(12), c = 11.2462(20) Å, β = 101.572(13)° and Z = 4; the molecule lies on a crystallographic C 2 axis. Hydrogen atoms were both located and refined.
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    URL: http://dx.doi.org/10.1023/A:1009523312846
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    Crystal structure and conformation of frentizole, [1-(6-methoxy-2-benzothiazolyl)-3-phenylurea, an antiviral agent and an immunosuppressive drug (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 1187-1192 
    Details
    ISSN: 1572-8854
    Keywords: crystal structure ; Frentizole ; immunomodulator ; structure-function relationship
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystals of Frentizole (from ethanol/water) are monoclinic, space group P21/c, with a = 11.187(4), b = 7.392(2), c = 32.727(6) Å, β = 92.77(2)°, Z = 8, D o = 1.47 g/cm3, and D c = 1.472 g/cm3. There are two independent molecules in the crystallographic asymmetric unit with very different conformations. In molecule A the urea group is in the plane of the benzothiazole ring (0.9°) whereas in molecule B the dihedral angle between them is 4.4°. The dihedral angle between the planes of the phenyl group and the benzothiazole ring are ±157° and ±12°, respectively, in the two molecules. The molecules are linked by a pair of N–H···N hydrogen bonds involving the urea nitrogen and two other N–H···N bonds involving the urea nitrogen and the nitrogen of the benzothiazole group.
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    Crystal structure of quinestrol hemiethanolate (1999)
    Springer
    Journal of chemical crystallography 29 (1999), S. 355-358 
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    ISSN: 1572-8854
    Keywords: Quinestrol ; sex steroid ; alkyne ; crystal structure ; solvent inclusion ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The X-ray crystal structure of the synthetic sex steroid quinestrol (3-O-cyclopentyl-17α-ethynylestradiol) as crystallized from ethanolic solution is determined. The asymmetric unit contains two steroid and one ethanol molecules. The conformation of the two steroid molecules differs in the orientation of the cyclopentane ring. The cocrystallized ethanol molecule facilitates formation of cooperative O—H···O hydrogen bonding. The title compound crystallizes in the monoclinic space group P21, with a = 13.950(6), b = 6.5945(8), c = 25.403(8) Å, β = 104.78(4)°, and D calc = 1.136 g cm−1 for Z = 4.
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    URL: http://dx.doi.org/10.1023/A:1009590305578
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    Integrity and Structural Characteristics of the M6E8 (E=S, Se, Te) Cluster Core: Syntheses and Structures of [Co6S8(PR3)6] n+ (R=Me2Ph, n=1; R=OMe, n=0) (1999)
    Springer
    Journal of cluster science 10 (1999), S. 429-443 
    Details
    ISSN: 1572-8862
    Keywords: Cluster core M6E8 ; structural characteristics ; crystal structure ; hexacobalt cluster complex ; phosphine ; sulfide bridging
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract Two new members of the hexanuclear series [Co6S8(PR3)6] n+, complexes [Co6S8(PMe2Ph)6](ClO4) (1) and [Co6S8P(OMe)3 6] (2), have been synthesizes and characterized by X-ray diffraction analyses. Their formation process was postulated to go through trinuclear μ3--S bridged moieties. The structural characteristics of the M6E8P6 skeleton of a whole series of [M6E8(PR3)6] n+ (M=Co, Cr, Fe, Mo; E=S, Se, Te) complexes are presented in terms of atomic distances and core volumes.
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    Thermal Decomposition Mechanism and Thermodynamic Properties of [Cd(NTO)4Cd(H2O)6]·4H2O (1999)
    Springer
    Journal of thermal analysis and calorimetry 55 (1999), S. 797-806 
    Details
    ISSN: 1572-8943
    Keywords: cadmium coordination ; crystal structure ; enthalpy of solution ; lattice energy ; lattice enthalpy ; NTO salt ; preparation ; standard enthalpy of dehydration ; standard enthalpy of formation ; thermal decomposition mechanism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract [Cd(NTO)4Cd(H2O)6]·4H2O was prepared by mixing the aqueous solution of 3-nitro-1,2,4-triazol-5-one and cadmium carbonate in excess. The single crystal structure was determined by a four-circle X-ray diffractometer. The crystal is monoclinic, space group C2/c with crystal parameters of a=2.1229(3) nm, b=0.6261(8) nm, c=2.1165(3) nm, β=90.602(7)°, V=2.977(6) nm3, Z=4, Dc=2.055 g·cm−3, μ=15.45 cm−1, F(000)=1824, λ(MoKα)=0.071073 nm. The final R is 0.0282. Based on the results of thermal analysis, the thermal decomposition mechanism of [Cd(NTO)4Cd(H2O)6]·4H2O was derived. From measurements of the enthalpy of solution of [Cd(NTO)4Cd(H2O)6]·4H2O in water at 298.15 K, the standard enthalpy of formation, lattice energy, lattice enthalpy and standard enthalpy of dehydration have been determined as -(1747.8±4.8), -2394, -2414 and 313.6 kJ mol−1 respectively.
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    URL: http://dx.doi.org/10.1023/A:1010121514909
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    Crystal Structures of trans-Tetrahydrotetrols of Benzo[a]pyrene and Chrysene: A Possible Structure-Activity Relationship in Quasi-Planar Bay-Region Polycyclic Aromatic Hydrocarbons (1999)
    Springer
    Structural chemistry 10 (1999), S. 135-148 
    Details
    ISSN: 1572-9001
    Keywords: Tetrahydrotetrol ; polycyclic aromatic hydrocarbon derivative ; carcinogen ; crystal structure ; structure-activity relationship
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The molecular structures of two racemic trans-tetrahydrotetrols formed by hydrolysis of the (±)anti-7,8-dihydroxy-9,10-epoxy-7,8,9,10-tetrahydro derivatives of the strong carcinogen benzo[a]pyrene and the weak carcinogen chrysene have been determined by X-ray crystallographic methods.3 Focusing on the (+)isomers, the stereochemical features of the two tetrols are discussed in detail to determine structural differences, which can be related to the different biological activity of their parent hydrocarbons, since they provide a model for the hydrocarbon moiety in the major PAH-DNA adduct. As a result of this study, a tentative correlation can be stated between biological activity of quasi-planar bay-region PAHs and the presence of structural features, which can decrease the steric hindrance of the aromatic skeleton and the other hydroxy groups on the pseudo-axial O4, which mimics the position of the covalent bond to DNA. The significant structural features seem to be an out-of-plane distortion with a negative torsion angle at the bay region and a half chair conformation of the saturated ring distorted toward the envelope with C8 at the tip as in BPT, in addition to the axial and pseudo-axial conformations of the hydroxy groups at C9 and C10 due to the near bay region. They may be considered generated by trans-opening of the oxirane ring in an anti-diol epoxide biologically active because it is highly strained. The strains, derived from the activation of bay-region PAHs with a negative torsion angle, seem greater in an anti-diol epoxide relative to the syn-isomer. Thus, when the strains are released, the derived trans-tetrol occurs with structural features, which seem to better fit the target. As a consequence, the presence of a methyl group at a bay region should increase the biological activity of a PAH, imposing greater strains to the structure of the anti-diol epoxide.
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    Survey of Chalcogenide Superconductors (1999)
    Springer
    Journal of thermal analysis and calorimetry 57 (1999), S. 807-821 
    Details
    ISSN: 1572-8943
    Keywords: bibliography ; critical temperature ; crystal structure ; CuRh2S4 ; CuRh2Se4 ; survey of chalcogenide superconductors
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The thread that runs through all research in the field of superconductivity is new physics through discovery of new materials. The knowledge of superconducting materials has become voluminous and complex. The comprehensive review of the superconducting materials is of particular importance. The main purpose of this report is to present the results of classification for chalcogenide superconductors. Superconducting critical temperature Tc, crystal-structure type and the references proper to these compounds are summarized. Brief survey of the superconductivity in chalcogen elements is also given. Furthermore, as representative sulfide and selenide, superconducting characteristics of CuRh2S4 and CuRh2Se4 will be shown.
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    Thermal Decomposition Mechanism, Thermodynamical and Quantum Chemical of Properties [Pb(NTO)2⋅(H2O)] (1999)
    Springer
    Journal of thermal analysis and calorimetry 58 (1999), S. 257-267 
    Details
    ISSN: 1572-8943
    Keywords: crystal structure ; lattice energy ; lattice enthalpy ; lead salt of NTO ; preparation ; quantum chemical calculation ; thermal decomposition mechanism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The single crystal of lead salt of 3-nitro-1,2,4-triazol-5-one (NTO), [Pb(NTO)2(H2O)] was prepared and its structure was determined by a four-circle X-ray diffractometer. The crystal is monoclinic, its space group is P21/n with crystal parameters of a=0.7262(1) nm, b=1.2129(2) nm, c=1.2268(3) nm, β=90.38(2)°, V=1.0806(2) nm3, Z=4, Dc=2.97 g cm−3, µ=157.83cm−1, F(000)=888. The final R is 0.027. By using SCF-PM3-MO method we obtained optimized geometry for [Pb(NTO)2⋅H2O] and particularly positions for hydrogen atoms. Through the analyses of MO levels and bond orders it is found that Pb atom bond to ligands mainly with its 6pz and 6py AOs. The thermal decomposition experiments are elucidated when [Pb(NTO)2⋅H2O] is heated, ligand water is dissociated first and NO2 group has priority of leaving. Based on the thermal analysis, the thermal decomposition mechanism of [Pb(NTO)2⋅H2O] has been derived. The lattice enthalpy and its lattice energy were also estimated.
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    Synthesis of a Novel Nickel(II) Complex with Dithiocarbimate from Sulfonamide (1999)
    Springer
    Structural chemistry 10 (1999), S. 41-45 
    Details
    ISSN: 1572-9001
    Keywords: Nickel complex ; dithiocarbimate ; sulfonamide ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Potassium N-4-methylphenylsulfonyldithiocarbimate, K2(4-CH3C6H4SO2N=CS2), reacted with nickel(II) chloride hexahydrate and tetrabutylammonium bromide to form the bis(N-4-methylphenylsulfonyldithiocarbimate)nickelate(II) tetrabutylammonium salt (Bu4N)2[Ni(4-CH3C6H4S2C=NSO2)2]. The elemental analyses, IR and UV-Vis data obtained were consistent with the formation of a $${\text{nickel}}{\kern 1pt} - {\kern 1pt} {\text{sulfur}}$$ diamagnetic planar complex. The 1H NMR and the 13C NMR spectra showed the expected signals for the dithiocarbimate moiety and the tetrabutylammonium cation. The single-crystal structure analysis showed that this substance crystallizes in the triclinic $${P\bar 1}$$ space group with a = 10.474(3) Å, b = 10.767(3) Å, c = 13.657(3) Å and α = 81.54(2)°, β = 80.44(2)°, γ = 67.63(2)°, V = 1398.5(8) Å3, and Z = 2. The nickel atom is coordinated to four sulfur atoms.
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    4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone, a Nicotine-derived Carcinogenic Nitrosaminoketone (NNK): Three-dimensional Structure (1999)
    Springer
    Structural chemistry 10 (1999), S. 439-443 
    Details
    ISSN: 1572-9001
    Keywords: Nicotine-derived nitrosaminoketone ; nitrosamine ; crystal structure ; molecular dimensions
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The three-dimensional structure of the carcinogenic nicotine-derived nitrosaminoketone, 4-(methyl-nitrosamino)-l-(3-pyridyl)-l-butanone, has been determined by X-ray crystallographic techniques. The molecule is essentially planar except for the methylnitrosamine group which is oriented at a dihedral angle of 68.7° to the pyridine ring. Molecules pack by way of —H⋯O interactions that involve the —NNO group.
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    Structure of the 1 : 1 Complex of Hexakis(2,3,6-tri- O-methyl) α-Cyclodextrin with ( R)-(-)-1,7-Dioxaspiro[5.5]undecane (1999)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 33 (1999), S. 321-330 
    Details
    ISSN: 1573-1111
    Keywords: crystal structure ; hexakis(2,3,6-triO-methyl)- α-cyclodextrin ; (R)-(-)-1,7-dioxaspiro ; {}[5.5]undecane ; chiral recognition
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of the 1 : 1 inclusion complex of hexakis(2,3,6-tri-O-methyl)- α-cyclodextrin (TM αCD) with 1,7-dioxaspiro[5.5]undecane (spiroacetal) is orthorhombic, space group C2221, with a = 24.002(2), b = 14.812(1), c = 21.792(2) Å V = 7747.3(11) Å3 and Z = 8. The molecular six-fold axis of TM αCD coincides with the a two-fold crystallographic axis and the guest is located at the secondary methoxy group side, disordered over two positions related by that axis. The guest model used during the refinement is that of the (R)-enantiomer alone because trials to either refine a 1 : 1 mixture of (R)- and (S)-enantiomers or the (S)-enantiomer alone failed. The crystallographic evidence of enantioselectivity towards the (R)-enantiomer of spiroacetal was confirmed by independent experiments and may be attributed to numerous non bonding interactions between host and guest involving non conventional H-bonds.
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    Recent advances in the structure and function of isopenicillin N synthase (1999)
    Springer
    Antonie van Leeuwenhoek 75 (1999), S. 33-39 
    Details
    ISSN: 1572-9699
    Keywords: active site ; crystal structure ; iron binding motif ; isopenicillin N synthase ; mechanism of action
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Isopenicillin N synthase is a key enzyme in the biosynthesis of penicillin and cephalosporin antibiotics, catalyzing the oxidative ring closure of δ-(L-α-aminoadipoyl)-L-cysteinyl-D-valine to form isopenicillin N. Recent advances in our understanding of the unique chemistry of this enzyme have come through the combined application of spectroscopic, molecular genetic and crystallographic approaches and led to important new insights into the structure and function of this enzyme. Here we review new information on the nature of the endogenous ligands that constitute the ferrous iron active site, sequence evidence for a novel structural motif involved in iron binding in this and related non-heme iron dependent dioxygenases, crystal structure studies on the enzyme and its substrate complex and the impact of these and site-directed mutagenesis studies for unraveling the mechanism of the isopenicillin N synthase reaction.
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    URL: http://dx.doi.org/10.1023/A:1001723202234
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    QSAR and CoMFA Study of Cocaine Analogs: Crystal and Molecular Structure of (–)-Cocaine Hydrochloride and N-Methyl-3β-(p-Fluorophenyl)Tropane-2β-Carboxylic Acid Methyl Ester (1999)
    Springer
    Structural chemistry 10 (1999), S. 91-103 
    Details
    ISSN: 1572-9001
    Keywords: x-ray ; crystal structure ; cocaine ; analogs ; QSAR ; CoMFA
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A QSAR and CoMFA study including 78 cocaine analogs has been completed. These analogs have varied functional groups on the 2β and 3β positions of the tropane ring and include various stereoisomers. The CoMFA program was used to calculate the steric and electrostatic interaction energies as a probe atom or probe charge interacts with the molecules. Shaded contour maps show regions of the cocaine analogs where an increase in bulky substituents is desirable for increased pharmacological activity. The maps also show that small electronegative substituents on the phenyl ring are favored for enhanced activity. The X-ray crystal structures of (–)-cocaine hydrochloride (1) and N-methyl-3β-(p-fluorophenyl)tropane-2β-carboxylic acid methyl ester (2) are reported. These molecules are mostly rigid except for some rotational flexibility in the orientation of the phenyl and benzoyl functional groups. Crystallographic data: (1) C17H21NO4·HCl, orthorhombic space group P212121, a = 7.622(1)Å, b = 10.285(1)Å, c = 21.428(3)Å, Z = 4, final R = 0.035 for 960 observed reflections (I〉3σ(I)). (2) C16H20FNO2, monoclinic space group C2, a = 22.572(7)Å, b = 5.810(1)Å, c = 15.752(4)Å, β = 133.65(2)°, Z = 4, final R = 0.059 for 1511 observed reflections (I〉3σ(I)).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1022029129364
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  • 99
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    Electronic Resource
    Crystal Structures of Cs+-Crown Ether Complexes Containing Polynuclear Mercury Iodide Anions (1999)
    Springer
    Structural chemistry 10 (1999), S. 177-185 
    Details
    ISSN: 1572-9001
    Keywords: Cesium complexes ; crown ethers ; mercuric iodide ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Reactions of CsI and HgI2 with benzo-15-crown-5 (B15C5) and 15-crown-5 (15C5) in an ethanol-acetone mixture produced [Cs(B15C5)2]2[Hg2I6] (1) and {[Cs(15C5)]2[Hg2I6]}n (2), respectively. The structures of the two complexes are quite different. Molar ratios of Cs+ : crown ether are 1 : 2 in 1 and 1 : 1 in 2. Complex 1 consists of two Cs(B15C5) 2 + cations and a Hg2I 6 2- anion. Cs+ lies between the two crown-5 ligands, resulting in a sandwich-type cation. Cationic Cs(B15C5) 2 + and anionic Hg2I 6 2- are linked together by electrostatic interactions and the complex 1 is an ion pair compound. Complex 2 consists of infinite [Cs(15C5)]2[Hg2I6] units. Each structural unit contains two Cs(15C5)+ cations and a Hg2I 6 2- anion. Cs+ is coordinated by five oxygen atoms of 15C5, three iodine atoms of Hg2I 6 2- , and an iodine atom of Hg2I 6 2- in an adjacent structural unit. The interactions between the Cs+ of Cs(15C5)+ and an I− in Hg2I 6 2- from adjacent structural units polymerize the complex 2, resulting in a one-dimensional network structure. The anions of Hg2I 6 2- in both complexes are similar. The two mercury atoms are linked through two bridging iodine atoms and each mercury is also coordinated by two terminal iodines. Crystal data for 1: space group P21/c (No. 14), a = 12.253(4), b = 20.945(7), c = 16.110(6) Å, β = 111.0(1)°, V = 3860 Å3, Z = 4, R = 0.082 (R w = 0.089). Crystal data for 2: space group P21/c (No. 14), a = 12.157(4), b = 8.546(4), c = 20.666(6) Å, β = 91.54(3)°, V = 2146 Å3, Z = 4, R = 0.034 (R w = 0.048).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1021832412700
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  • 100
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    Electronic Resource
    Studies on (Hg0.7Mo0.3)Sr2(Sr1−xLax)Cu2Oz with a Wide Range of Doping State (1999)
    Springer
    Journal of superconductivity 12 (1999), S. 403-408 
    Details
    ISSN: 1572-9605
    Keywords: Superconductivity ; crystal structure ; Hg-based cuprate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract The single-phased series of Sr-bearing Hg-1212 superconducting cuprate,(Hg0.7Mo0.3)Sr2(Sr1−x La x )Cu2O z has been prepared. X-ray diffraction showed that, the obtained samples belong to the 1212-structure with tetragonal space group P4/mmm, similar to that of (Hg, Mo)Sr2(Ca, Y)Cu2Oz, and stabilized in a wide compositional range of 0.25≤x≤0.75. Refinements of the structure are carried out in which the oxygen atoms at the (Hg, Mo) layer is shifted from high-symmetry position (0.5, 0.5, 0) to (x, x, 0). Magnetization and electrical resistivity measurements show that the as-prepared samples exhibit evidence for superconductivity and their superconducting properties were improved after O2 annealing with T onset c as high as 92 K.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1007765718878
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