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  • Articles  (3)
  • Inorganic Chemistry  (3)
  • Electron diffraction  (2)
  • 3,4,4-Trifluoro-1,2-oxathietane-2,2-dioxide  (1)
  • 1λ4,3λ4,5λ4-Trithiatriazines
  • Wiley-Blackwell  (3)
  • 1995-1999  (3)
  • 1995  (3)
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  • Articles  (3)
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  • Wiley-Blackwell  (3)
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  • 1995-1999  (3)
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  • 1
    Electronic Resource
    Electronic Resource
    The Gas-Phase Structure of 1-Trifluoromethylthio-1,2,2-trifluoroethene, CF3SC(F)=CF2 (1995)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 803-805 
    Details
    ISSN: 0009-2940
    Keywords: Trifluorotrifiuoromethylthioethene ; Gas-phase structure ; Electron diffraction ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The molecular structure of 1-trifluoromethylthio-1,2,2-trifluoroethene, CF3SC(F) = CF2, was determined by gas electron diffraction (GED) and ab initio calculations (HF/3-21G*). The S - CF3 bond is oriented nearly perpendicular to the ethene plane with Φ(C = C-S-C) = 96.9(12)°. This orientation implies that the p-shaped sulfur lone pair is perpendicular to the ethene π orbitals. The following skeletal bond lengths (ra in Å) and angles (χ α in °) were obtained (error limits are 30 values): C = C = 1.302(19) Å, C(sp2) - S = 1.719(9) Å, S—C(sp3) = 1.820(10) Å, C = C—S = 120.0(9)°, and C—S—C = 101.7(7)°. The experimental geometric parameters were reproduced reasonably well by the ab initio method.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19951280811
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  • 2
    Electronic Resource
    Electronic Resource
    Structure and Conformation of Bis(trifluoromethylthio)methane, CH2(SCF3)2 (1995)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 128 (1995), S. 461-464 
    Details
    ISSN: 0009-2940
    Keywords: Bis(trifluoromethylthio)methane ; Gas-phase structure ; Conformational properties ; Electron diffraction ; Calculations, ab initio ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The geometric structure and conformational properties of bis(trifluoromethylthio)methane, CH2(SCF3)2' were determined by gas electron diffraction. The main conformer (70 ± 15%) possesses C2 symmetry with dihedral angles Φ(SCSC) = 79.1(10)°. The second conformer possesses C1 symmetry. The following skeletal geometric parameters (distances ra [pm] and angles 〈α[°] with 3-σ uncertainties) were obtained: C—S 183.6(3), S—CF3, 179.3(3), S—C—S 112.1(6), and C—S—C 98.2(10). The geometric structures and relative conformational stabilities were well reproduced by ab initio calculations at the HF/3-21G* level.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19951280505
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  • 3
    Electronic Resource
    Electronic Resource
    Trifluoroethylene Sultone: Structure and ChemistryDedicated to Professor Herbert W. Roesky on the Occasion of his 60th Birthday (1995)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 621 (1995), S. 1849-1855 
    Details
    ISSN: 0044-2313
    Keywords: Trifluoroethylene Sultone ; 3,4,4-Trifluoro-1,2-oxathietane-2,2-dioxide ; Gas Electron Diffraction ; Structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Trifluorethylensulton: Struktur und ChemieDie Struktur des Trifluorethylensultons (1) (3,4,4-Trifluor-1,2-oxathietan-2,2-dioxid) wurde durch Elektronenbeugung in der Gasphase bestimmt. Der viergliedrige Ring ist planar. Folgende Parameter (ra Abstände und ∠α-Winkel mit der Fehlergrenze von 3σ) wurden erhalten: C—O = 1,41 Å (ass), C—C = 1,541(18) Å, S—O = 1,652(5) Å, S—C = 1,822(8) Å, S—C—C = 86,2(15)°, C—C—O = 97,1(28)°, C—O—S = 97,5(21)° und O—S—C = 79,1(8)°. Neue spektroskopische Daten (IR, NMR) für 1, sein acyclisches Isomer FSO2CFHC(O)F (2), und das Anhydrid FSO2OSO2CFHC(O)F (3) werden mitgeteilt. Neue Ester mit der Fluorsulfonyl-Funktion, FSO2CFHC(O)OCH2CF3 (4), FSO2CFHC(O)OCH2CH = CH2 (5), und (FSO2CFHC(O)OCH2CH—CH2—)n (6) wurden dargestellt und charakterisiert.
    Notes: The gas phase structure of trifluoroethylene sultone, (1) (3,4,4-trifluoro-1,2-oxathietane-2,2-dioxide) was determined by gas electron diffraction, and the four-membered ring was found to be planar. The following ring parameters (ra distances and ∠α angles with 3σ uncertainties) were derived in the electron diffraction analysis: C—O = 1.41 Å (ass.), C—C = 1.541(18) Å, S—O = 1.652(5) Å, S—C = 1.822(8) Å, S—C—C = 86.2(15)°, C—C—O = 97.1(28)°, C—O—S = 97.5(21)°, and O—S—C = 79.1(8)°. New spectral data (IR, NMR) of 1, its acyclic isomer FSO2CFHC(O)F (2), and the related anhydride, FSO2OSO2CFHC(O)F (3), are reported. New esters containing the fluorosulfonyl function, FSO2CFHC(O)OCH2CF3 (4), FSO2CFHC(O)OCH2CH = CH2 (5), and (FSO2CFHC(O)OCH2CH—CH2—)n (6) have been prepared and characterized.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19956211106
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