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  • 1
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemistry - A European Journal 1 (1995), S. 389-393 
    ISSN: 0947-6539
    Keywords: crystal structure ; differential thermal analysis ; nitrogen oxides ; phase transitions ; twinning ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Mixtures of N2O3 and N2O4 have been prepared from measured volumes of NO and O2. Phase relationships in the system N2O3/N2O4, which depend on the composition of the samples and on the temperature, were studied by the Guinier technique and differential thermal analysis. Single crystals of phases A and B of N2O3 were grown in situ on a diffractometer and studied at temperatures between -107 and -170°C by X-ray diffraction. The structure analysis of A-N2O3 (tetragonal, space group I41/a, T = -170°C, a = 1625.57 (16), c = 880.49(13) pm, Z = 32, R1 = 0.051 for 1030 unique reflections) is hampered by twinning and additional disorder of one of two crystallographically independent molecules. B-N2O3 is nicely ordered with one molecule in the asymmetric unit (orthorhombic, space group P212121, T = -160°C, a = 506.86(4), b = 647.96(5), c = 863.26(6) pm, Z = 4, R1 = 0.023 for 1352 unique reflections). The most interesting features of the N2O3 molecule are its planarity and the extraordinarily long N—N bond (189.0(1) pm).
    Additional Material: 3 Ill.
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  • 2
    ISSN: 0947-6539
    Keywords: ab initio calculations ; carboranes ; electron diffraction ; rearrangements ; structure elucidation ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: closo-1,2-(SiMe3)2-1,2-C2B4H4 undergoes thermal conversion to 1,6-(SiMe3)2-1,6-C2B4H4. The reaction pathway was monitored by 11B NMR spectroscopy. The structures of the 1,2- and 1,6-isomers were optimized at the HF/6-31 G* ab initio level. Gas-phase electron diffraction studies for both isomers are reported, as well as low-temperature X-ray crystal structure determinations. Comparison of calculated structural data with the data obtained experimentally shows good agreement between theory and experiment.
    Additional Material: 6 Ill.
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  • 3
    ISSN: 0044-2313
    Keywords: Dimethyl(methanesulfinyl)sulfonium-Hexafluorometallates ; Vibrational-, NMR-, Mass-Spectra ; Crystal Structure of CH3S(O)Cl ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Dimethyl(methanesulfinyl)sulfonium Hexafluorometallates (CH3)2SS(O)CH3+MF6- (M = As, Sb) and the Crystal Structure of Methanesulfinylchloride CH3S(O)Cl [1]The preparation of dimethyl(methanesulfinyl)sulfoniumhexafluorometallates (CH3)2SS(O)CH3+MF6- (M = As, Sb) and the spectroscopic characterization of the new thiosulfonium salts are described. Alternatively they can be obtained from methylmethanethiosulfinate by methylation. In addition the crystal structure of methanesulfinylchloride CH3S(O)Cl at 113 K is reported. The compound crystallizes in the monoclinic space group P21/n with a = 528.2(1), b = 829.2(2), c = 880.9(2) pm, β = 90.48(2)° and Z = 4.
    Notes: Die Darstellung von Dimethyl(methansulfinyl)sulfoniumhexafluorometallaten (CH3)2SS(O)CH3+MF6- (M = As, Sb) aus Methansulfinylchlorid CH3S(O)Cl und Dimethylsulfoniumhexafluorometallaten (CH3)2SH+MF6- sowie die spektroskopische Charakterisierung der neuen Thiosulfoniumsalze wird beschrieben. Alternativ können diese auch durch Methylierung von Methylmethanthiosulfinat CH3SS(O)CH3 erhalten werden. Die Ergebnisse einer Einkristallröntgenstruktur-analyse von CH3S(O)Cl bei 113 K werden mitgeteilt. Das Sulfinylchlorid kristallisiert in der monoklinen Raumgruppe P21/n mit a = 528,2(1), b = 829,2(2), c = 880,9(2) pm, β = 90,48(2)°, Z = 4.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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