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  • 1
    Electronic Resource
    Electronic Resource
    Resonance Raman excitation profiles for the permanganate ion: calculation of Franck-Condon scattering contributions for the totally symmetric fundamental and its overtones and of the equilibrium manganese oxide (MnO) bond length in the first 1T2 excited state (1981)
    s.l. : American Chemical Society
    Journal of the American Chemical Society 103 (1981), S. 6593-6599 
    Details
    ISSN: 1520-5126
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ja00412a010
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  • 2
    Electronic Resource
    Electronic Resource
    Dependence of level-resolved energy transfer on initial vibrational level in Li2A1Σu+−Ne collisions (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 1415-1426 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have investigated collision induced rotational and vibrational energy transfer in the Li2 A1Σu+(vi,ji=30)−Ne system experimentally under single-collision conditions at an effective temperature of 691 K. Over 800 inelastic rate constants have been measured, with the initial vibrational level vi ranging from 2 to 24 and −2≤Δv≤+2. Increasing vi results in a linear increase in the vibrational transition rate constants, which is accompanied by a decrease in the rotationally inelastic transition rate constant. The total inelastic rate constant increases with vi only at the highest values of vi. Net vibrational energy transfer 〈ΔE〉 calculated using rotationally summed rate constants is qualitatively consistent with a simple model. However, explicit inclusion of rotation gives quite different values of 〈ΔE〉. The experimental results are compared with our three-dimensional trajectory calculations on an ab initio potential surface and on a simple repulsive potential surface. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470908
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  • 3
    Electronic Resource
    Electronic Resource
    Comparison of experimental and computed vibrationally inelastic rate constants for Li2 A 1Σ+u–Ne collisions (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 860-863 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report measurements of level-resolved rate constants for inelastic scattering in the Li2 A 1Σ+u–Ne system, with initial molecular quantum numbers vi=2 and ji=30. The measurements include rotationally and vibrationally inelastic rate constants with ||Δv||≤2. Comparison is made with rate constants computed from classical trajectories on a recently reported ab initio potential energy surface. Our work constitutes the first comparison between experiment and calculation on an accurate potential for level-resolved vibrationally inelastic scattering. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.470067
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  • 4
    Electronic Resource
    Electronic Resource
    State-resolved collisional relaxation of highly vibrationally excited pyridine by CO2: Influence of a permanent dipole moment (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 108 (1998), S. 6185-6196 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The quenching of highly vibrationally excited pyridine through collisions with a 300 K bath of CO2 is investigated using high resolution transient infrared laser spectroscopy. Highly excited pyridine (Evib=37 950 cm−1) is prepared using pulsed ultraviolet (UV) excitation at 266 nm, followed by radiationless coupling to the ground electronic state. Energy gain into CO2 resulting from collisions with highly excited pyridine is probed using transient absorption techniques. Distributions of nascent CO2 rotational populations in both the ground (0000) state and the vibrationally excited (0001) state are determined from early time absorption measurements. Translational energy distributions of the recoiling CO2 in individual rovibrational states are determined through measurement of Doppler-broadened transient line shapes. These experiments investigate the influence of a large permanent dipole moment (μpyridine=2.2 D) on the collisional quenching dynamics of molecules with very large amounts of internal energy. A kinetic model is developed to describe rates for appearance of CO2 states resulting from collisions with excited pyridine as well as for quenching of excited pyridine at early times. These experiments show that collisions resulting in CO2 (0000) are accompanied by substantial excitation in rotation (Trot=1200 K for J=56–82) and translation (Ttrans=2900 K for J=78) while the vibrationally excited CO2 (0001) state has rotational and translational energy distributions near the initial 300 K distributions. Rate constants for the two energy transfer pathways are compared with previously published data on quenching collisions of excited (nonpolar) pyrazine, revealing only minor relative enhancement (∼2) in the vibrational excitation channel in pyridine relaxation. Overall quenching rates for excited pyridine are determined for both CO2 states investigated. These data show that the rotational and translational energy gain in CO2 is much more sensitive to collisional depletion of excited pyridine. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476061
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  • 5
    Electronic Resource
    Electronic Resource
    Redetermination of the double salt Λ-[tris(ethylenediamine)cobalt(III) trichloride]–sodium chloride–water (2/1/6) (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. 149-151 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The structure of the title compound, {[Co(C2H8N2)3]Cl3}2·-[Na(H2O)6]Cl, has been redetermined to a higher degree of accuracy. The true space group is shown to be trigonal P3, but the structure is extremely close to hexagonal P63. Both of the independent Λ-[Co(en)3]Cl3 moieties (en is ethylenediamine) and the [Na(H2O)6]Cl unit reside on sites of crystallographic threefold symmetry. The sodium and chloride ions share the same lattice positions and the whole [Na(H2O)6]Cl unit is disordered over two positions in an approximate ratio of 0.73:0.27.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270199013116
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  • 6
    Electronic Resource
    Electronic Resource
    Lanthanide complexes of 2,2′-oxydiacetate: Na5[M(C4H4O5)3](BF4)2·6H2O (M = Nd, Sm or Gd) (2000)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 56 (2000), S. e435-e436 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The three title complexes, namely pentasodium tris(2,2′-oxydiacetato)neodymium(III) bis(tetrafluoroborate) hexahydrate and its samarium(III) and gadolinium(III) analogues, (I)–(III), respectively, are isomorphous and isostructural and have crystallographic D3 symmetry. The lanthanide metal ions are nine-coordinate, binding to three O atoms of three oxodiacetate ligands. One Na+ ion is octahedrally coordinated to six O atoms and the other Na+ ion is octahedrally coordinated to four O atoms and two F atoms. The structure is effectively an infinite three-dimensional polymer, consistent with the exceptional crystal quality. The racemic solutions spontaneously resolve on crystallization. For the individual crystals selected for structural analysis, the Nd and Sm complexes have the Λ configuration, while the Gd complex has the Δ configuration. The lanthanide–oxygen distances show the expected contraction of ca 0.02 Å with increasing atomic number for the lanthanide metal.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270100012087
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  • 7
    Electronic Resource
    Electronic Resource
    Isotopic studies of processes in mafic magma chambers: II. The Skaergaard Intrusion, East Greenland (1990)
    Springer
    Contributions to mineralogy and petrology 104 (1990), S. 125-141 
    Details
    ISSN: 1432-0967
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract Isotopic ratios of Nd and Sr have been measured in a suite of samples spanning most of the exposed stratigraphy of the Skaergaard intrusion in order to detect and quantify input (such as assimilated wallrock and fresh magma) into the magma chamber during crystallization. Unlike δ18O and δD, Nd and Sr isotope ratios do not appear to have been significantly affected by circulation of meteoric waters in the upper part of the intrusion. Variations in initial 87Sr/86Sr and εNd suggest that the Skaergaard magma chamber was affected during its crystallization by a small amount (2%–4%) of assimilation of Precambrian gneiss wallrock (high 87Sr/86Sr, low εNd) and possibly recharge of uncontaminated magma. Decreases in εNd and increases in 87Sr/86Sr during the early stages (0%–30%) of crystallization give way to approximately unchanging isotopic ratios through crystallization of the latest-deposited cumulates. Modelling of assimilation-fractional crystallization-recharge processes using these data as constraints shows that the assimilation rate must have been decreasing throughout crystallization. In addition, the isotope data allow replenishment by an amount of uncontaminated magma equal to 20%–30% of the total intrusion mass, occurring either continuously or in pulses over the first 75% of crystallization. Comparison of the recharge models with published Mg/(Mg+Fe2+) data from Skaergaard cumulates shows that the modelled replenishment rates are not inconsistent with available major element data, although significant recharge during the final ∼25% of crystallization can be ruled out. The isotope data show that the Skaergaard magma could have incorporated only a small amount of the gneiss that it displaced from the floor of the chamber; assimilation appears to have taken place primarily across a partially molten zone that formed at the roof from the wallrock that was dislodged during emplacement. In the latest stages of crystallization (〉75% crystallized), the Skaergaard magma may have become stratified into two separately-convecting layers, effectively insulating Layered Series cumulates from further contamination.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00306438
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  • 8
    Electronic Resource
    Electronic Resource
    Degree of circular polarization of resonance Raman scattering-luminescence discrimination and assignment of non-totally symmetric modes in [Ph4P][ReS4] (1984)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 15 (1984), S. 396-399 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The degree of circular polarization, C(π), has been measured for resonance Raman scattering from the [ReS4]- ion in a microcrystalline sample at 10 K. There is considerable partially relaxed luminescence which is discriminated against by this technique. The relative values of C(π), observed for components of resonantly enhanced Raman bands, provide evidence for assignments to non-totally symmetric modes of the ion.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250150608
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  • 9
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    Winter weather controls net influx of atmospheric CO2 on the north-west European shelf (2019)
    In:  EPIC3Nature Scientific Reports, 9, pp. 20153, ISSN: 2045-2322
    Details
    Publication Date: 2020-01-06
    Description: Shelf seas play an important role in the global carbon cycle, absorbing atmospheric carbon dioxide (CO2) and exporting carbon (C) to the open ocean and sediments. The magnitude of these processes is poorly constrained, because observations are typically interpolated over multiple years. Here, we used 298500 observations of CO2 fugacity (fCO2) from a single year (2015), to estimate the net influx of atmospheric CO2 as 26.2 ± 4.7 Tg C yr−1 over the open NW European shelf. CO2 influx from the atmosphere was dominated by influx during winter as a consequence of high winds, despite a smaller, thermallydriven, air-sea fCO 2 gradient compared to the larger, biologically-driven summer gradient. In order to understand this climate regulation service, we constructed a carbon-budget supplemented by data from the literature, where the NW European shelf is treated as a box with carbon entering and leaving the box. This budget showed that net C-burial was a small sink of 1.3 ± 3.1 Tg C yr−1, while CO2 efflux from estuaries to the atmosphere, removed the majority of river C-inputs. In contrast, the input from the Baltic Sea likely contributes to net export via the continental shelf pump and advection (34.4 ± 6.0 Tg C yr−1).
    Repository Name: EPIC Alfred Wegener Institut
    Type: Article , isiRev
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  • 10
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    Quasiresonant Vibration↔Rotation Transfer in Atom-Diatom Collisions (1988)
    American Physical Society
    Details
    Publication Date: 1988-01-25
    Print ISSN: 0031-9007
    Electronic ISSN: 1079-7114
    Topics: Physics
    Published by American Physical Society
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    PAPER CURRENT
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