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  • 1
    Electronic Resource
    Electronic Resource
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 54 (1998), S. 776-779 
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
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  • 2
    Electronic Resource
    Electronic Resource
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 52 (1996), S. 644-647 
    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, C10H20FSe+.C6H2N3O7-, synthesized from (E)-4-methylseleno-5-fluoro-4-octene with trimethyloxonium tetrafluoroborate, followed by anion exchange with natrium picrate, proves the trans addition of RSeF equivalents in the fluoroselenenylation of acetylenes with XeF2–R2Se2 and XeF2–PhSeSiR3 reagents [dihedral angle Se-C4-C5-F −178.7 (1)°].
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  • 3
    ISSN: 1572-9001
    Keywords: Crystal structures ; rhenium complexes ; tridentate ONO and ONN ligand complexes ; oxo complexes ; molecular mechanics ; quantum chemical calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A series of oxo-rhenium complexes of the type ReO(LLL)(LLLH) with tridentate diacidic ligands (LLLH2) containing the donor set $$O\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\frown}$}}{ } N\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\frown}$}}{ } O\left( N \right)$$ has been synthesized and characterized. X-ray analyses were carried out for benzoylacetone-2-hydroxyanilato(2-)-benzoylacetone-2-hydroxyanilato-oxo-rhenium(V) ReO(BAHA)2 1, [2,6-diphenylacylpyridinato(2-)]-2,6-diphenylacylpyridinato-oxo-rhenium(V) ReO(DPAP)2 2, [2-pyrrolaldehyde-2′-hydroxyanilato-(2-)]-2-pyrrolaldehyde-2′-hydroxyanilato-oxo-rhenium(V) ReO(PAHA)2 3, {4-[1-(N′-benzoylhydrazino)-1-phenyl-methyliden]-3-methyl-1-phenyl-pyrazol-5-onato-(2-)} – {4-[1-(N′-benzoylhydrazino)-1-phenyl-methyliden]-3-methyl-1-phenyl-pyrazol-5-onato}-oxo-rhenium(V) ReO(BHMP)2 5, and for the ligand 4-[1-(N′-benzoylhydrazino)-1-phenyl-methyliden]-3-methyl-1-phenyl-pyrazol-5-one (BHMP). In all the oxo-rhenium complexes the rhenium is in a distorted octahedral coordination environment with one ligand acting as tridentate in the equatorial plane and the other ligand acting as bidentate in the axial position. The Re — Nbond lengths were found to be in the range of 2.01 to 2.18 Å depending on the nature of the bond caused by mesomeric and steric effects of the ligands. In order to check the bonding relationships, molecular orbital calculations with Gaussian 94 were carried out. Additionally force field calculations were performed using the Extensible Systematic Force Field (ESFF). This was done to examine the ability of the ESFF to represent the bonding relationships in order to provide reasonable input data for MO calculations.
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  • 4
    ISSN: 1572-9001
    Keywords: Molecular mechanics ; ESFF force field ; Chelates of titanium(IV) ; vanadium(IV/V) ; copper(II) ; nickel(II) ; molybdenum(IV/V) ; rhenium(IV/V) ; and tin(IV) ; di- and tridentate ligands
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Force field calculations were performed on a series of 27 transition metal complexes of titanium(IV), vanadium(IV/V), copper(II), nickel(II), molybdenum(IV/V), rhenium(IV/V), and tin(IV) with a broad variety of di- or tridentate ligands in order to find a reliable scheme for determining the molecular structure of such chelates with the new Extensible Systematic Force Field (ESFF). A good agreement between theoretical results and experimental data was achieved. In some cases an unspecific fitting of the force field was necessary.
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  • 5
    ISSN: 1572-9001
    Keywords: Titanium(IV) chelates ; tridentate diacidic ligands ; donor set ONO(S) ; 13C-CP/MAS-NMR spectra ; crystal structure of bis[benzoylacetone thiobenzoylhydrazonato(2-)]titanium(IV)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A series of tridentate diacidic ligands having the donor set ONO(S) as well as the corresponding titanium(IV) chelates were studied by13C-CP/MAS-NMR spectroscopy. Structural changes caused by the complex formation are discussed. The crystal structure of bis[benzoylacetone thiobenzo-ylhydrazonato(2-)]titanium(IV) was determined by X-ray analysis as to be distorted trigonal prismatic. Orthorhombic space group Pca2l,Z=4, 3304 observed independent reflections, unit-cell parameters at 298 K:a=22,808(2) å,b=13,073(4) å,c=10,450(4) å.
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  • 6
    ISSN: 0044-2313
    Keywords: Vanadium(IV) complexes ; syntheses ; crystal structures ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Reactions and Thermal Behaviour of Nonoxo Vanadium(IV) Complexes. Crystal Structures of Methoxo-oxo[thenoyltrifluoroacetone-salicylhydrazonato(2-)]vanadium(V) and Methoxo-oxo[benzoylacetone-salicylhydrazonato(2-)]vanadium(V)The persistence of non-oxo vanadium(IV) complexes in dichlormethane/methanol/water solutions was studied by UV/VIS spectroscopy. The reaction products methoxo-oxo-[thenoyltrifluoroacetone-salicylhydrazonato(2-)]vanadium(V) and methoxo-oxo[benzoylacetone-salicylhydrazonato(2-)]vanadium(V) were isolated and characterized by X-ray analysis. The thermal behaviour of non-oxo vanadium(IV) complexes was checked.
    Notes: Die Beständigkeit oxofreier Vanadium(IV)-Komplexe mit dreizähnigen diaciden Liganden in Dichlormethan/Methanol/Wasser wurde UV/VIS-spektroskopisch untersucht. Als Reaktionsprodukte wurden Methoxo-oxo-[thenoyl-trifluoraceton-salicylhydrazonato(2-)]vanadium(V) sowie Methoxo-oxo-[benzoylaceton-salicylhydrazonato(2-)]vanadium(V) isoliert und röntgenstrukturanalytisch charakterisiert. Das thermische Verhalten der oxofreien Vanadium(IV)-Komplexe wurde analysiert.Methoxo-oxo-[thenoyltrifluoraceton-salicylhydrazonato(2-)]-vanadium(V), Raumgruppe P21/a2, Z = 4, 3 124 beobachtete unabhängige Reflexe, R = 0,0579, Gitterabmessungen bei 25°C; a = 800,0(2) pm, b = 2 027,3(6) pm, c = 1 165,0(3) pm, β = 109,03(2)° Methoxo-oxo-[benzoylaceton-salicylhydrazonato(2-)]vanadium(V) Raumgruppe P21/c, Z = 4, 2 312 beobachtete unabhängige Reflexe, R = 0,031, Gitterabmessungen bei 25°C: a = 1 122,6(1) pm, b = 772,96(9) pm, c = 2 021,2(4) pm, β = 95,32(1)°.
    Additional Material: 7 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 621 (1995), S. 1797-1799 
    ISSN: 0044-2313
    Keywords: Tetrachloro-bis(triphenylphosphane)rhenium(IV) ; Crystal Structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: ReCl4(PPh3)2 - Reactions and StructureThe compounds ReCl4(PPh3)2 and Re2OCl3(C2H5COO)2(PPh3)2 resulting from the reaction of ReOCl3(PPh3)2 with PPh3 in boiling propionic acid and HCl atmosphere were characterized by their VIS-spectra and structural data.Ligand exchange reactions with acetylacetone gave ReCl2(acac)2 as well as ReCl2(acac)(PPh3)2.Crystallographic data see “Inhaltsübersicht”.
    Notes: Die bei der Umsetzung von ReOCl3(PPh3)2 mit PPh3 in siedender Propionsäure unter HCl nebeneinander entstehenden Verbindungen ReCl4(PPh3)2 und Re2OCl3(C2H5COO)2(PPh3)2 wurden spektroskopisch und röntgenographisch charakterisiert. Bei Ligandenaustauschreaktionen mit Acetylaceton wurden sowohl ReCl2(acac)2 als auch ReCl2(acac)(PPh3)2 identifiziert.ReCl4(PPh3)2: Raumgruppe P21/n; Z = 2; 2 908 beobachtete unabhängige Reflexe; R = 0,0322; Gitterabmessungen bei 210 K: a = 9,324(4) Å; b = 20,93(1) Å; c = 9,636(4) Å; β = 117,66(1)°.
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  • 8
    ISSN: 0044-2313
    Keywords: 2-(2-Hydroxy-5-methylphenyl)-6-(2-hydroxyphenyl)-pyridine ; Copper Complex ; Crystal Structures ; Dipyridine Adduct ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Synthesis and Structure of the Copper Complex 2-(2-Hydroxy-5-methylphenyl)-6-(2-hydroxyphenyl)pyridinato(2-)dipyridin-copper(II) and of the free LigandThe tridentate diacidic ligand 2-(2-hydroxy-5-methyl)-6-phenyl-6-(2-hydroxyphenyl)pyridine 4a was synthesized and characterized by X-ray structural analysis. The compound forms a copper complex, 2-(2-Hydroxy-5-methyl-phenyl)-6-(2-hydroxyphenyl)pyridinato(2-)-dipyridine copper(II), which was crystallized from pyridine solution.The coordination number of the central atom copper ist five.
    Notes: Der dreizähnige Ligand 2-(2-Hydroxy-5-methylphenyl)-6-(2-hydroxyphenyl)pyridin 4a wurde synthetisiert und röntgenographisch charakterisiert. Die Verbindung bildet mit Kupfer(II) einen Komplex der Zusammensetzung Cu2L2. Aus Pyridin kristallisiert 2-(2-Hydroxy-5-methylphenyl)-6-(2-hydroxyphenyl)pyridinato(2-)-dipyridin-kupfer(II) 4c mit der Koordinationszahl 5 aus.Kristallstrukturanalyse von 4a: Raumgruppe An, Z = 8, 1994 beobachtete unabhängige Reflexe, R = 0,069, Gitterabmessungen bei 295 K: a = 960,6(2) pm, b = 1678,5(3) pm, c = 1824,5(3) pm, β = 100,89(3)°Kristallstrukturanalyse von 4c: Raumgruppe P21/c, Z = 4, 847 beobachtete unabhängige Reflexe, R = 0,064, Gitterabmessungen bei 295 K: a = 901,8(1) pm, b = 1781,2(3) pm, c = 1494,2(3) pm, β = 104,83(2)°
    Additional Material: 3 Ill.
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  • 9
    ISSN: 0044-2313
    Keywords: Dioxomolybdenum(VI) complexes ; crystal structures ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Ligand Exchange Reactions of Bis(acetylacetonato)dioxo-molybdenum(VI). Crystal Structures of [Salicylaldehyde-benzoylhydrazonato(2-)]dioxo-methanol-molybdenum(VI) and [Benzoylacetone-benzoylhydrazonato(2-)]dioxo-triphenylphosphaneoxide-molybdenum(VI)The products of ligand exchange reactions between bis(acetylacetonato)dioxo-molybdenum(VI) and tridentate diacidic ligands H2L in the presence of triphenylphosphane were found by mass spectrometry to be complexes of the type MoO2L. In the case of salicylaldehyde 2-hydroxyanil MoL2 could also be identified. The compounds MoO2L were crystallized as complexes with methanol or triphenylphosphane oxide.Crystallographic data see “Inhaltsübersicht”.
    Notes: Als Reaktionsprodukte bei der Ligandenaustauschreaktion von Bis(acetylacetonato)dioxo-molybdän(VI) mit dreizähnigen diaciden Liganden H2L in Gegenwart von Triphenylphosphan wurden massenspektrometrisch Komplexe des Typs MoO2L identifiziert. Beim Salicylaldehyd-2-hydroxyanil konnte auch MoL2 nachgewiesen werden. Die Verbindungen MoO2L kristallisieren als Komplexe mit Methanol oder Triphenylphosphanoxid.[Salicylaldehyd-benzoylhydrazonato-(2-)]dioxo-methanol-molybdän(VI): Raumgruppe P1, Z = 2, 3 073 unabhängige Reflexe, R = 3,2%; Gitterabmessungen bei 19°C: a = 785,5(2) pm, b = 980,6(2) pm, c = 1 037,2(2) pm, α = 94,53(3)°, β = 107,38(3)°, γ = 90,35(3)°, [Benzoylaceton-benzoylhydrazonato(2-)]dioxo-triphenylphosphanoxid-molybdän(VI); Raumgruppe P21/n, Z = 4, 8 147 unabhängige Reflexe, R = 3,55% Gitterabmessungen bei 20°C: a = 1 091,3(2) pm, b = 1 512,8(3) pm, c = 1897,1(4) pm, β = 92,25(3)°.
    Additional Material: 6 Ill.
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  • 10
    Publication Date: 1996-01-01
    Print ISSN: 2194-4946
    Electronic ISSN: 2196-7105
    Topics: Geosciences , Physics
    Published by De Gruyter
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