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  • 11
    Electronic Resource
    Electronic Resource
    Structure of O-Methyl-N,N-bis(trifluoromethyl)hydroxylamine, (CF3)2NOCH3 (1996)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 129 (1996), S. 653-656 
    Details
    ISSN: 0009-2940
    Keywords: Hydroxylamine, O-methyl-N,N-bis(trifluoromethyl)-, gas-phase structure of ; Electron diffraction ; Calculations, ab initio ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The molecular structure of (CF3)2NOCH3 was determined by gas electron diffraction. The molecular intensities were reproduced by use of a single conformation with syn orientation of the O-CH3 group relative to the nitrogen lone pair. This was confirmed by ab initio calculations (HF/3-21G(*), polarization functions only on nitrogen, and MP2/6-31G*). The observed structure demonstrates that the generalized anomeric effect is of minor importance to this compound. The following skeletal geometric parameters (bond lengths [pm] and angles [°] with 3-s̰ uncertainties) were derived: N-C 142.9(7), N-O 142(3), O-C 145(3), CNC 118.0(9), CNO 108.1(17), and NOC 109.4(17). The experimental structure is well reproduced by the ab initio calculations.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19961290610
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  • 12
    Electronic Resource
    Electronic Resource
    Beiträge zur Chemie der Schwefelhalogenide. 8. Trifluormethylbromsulfan - Gasphasenstruktur und Normalkoordinatenanalyse (1985)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 531 (1985), S. 31-40 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Contributions to the Chemistry of Sulfur Halides. 8. Trifluoromethylbromosulfan - Gas Phase Structure and Normal Coordinate AnalysisAn improved method to prepare CF3SBr is reported. An electron-diffraction measurement has been carried out and the following molecular parameter are obtained (rα° values in Å and degree): C—F = 1.331(3), C—S = 1.814(6), S—Br = 2.162(6), CSBr = 99.4(3), FCF = 108.7(9), Tilt = 5.5(5).A reassignment of the vibrational frequencies based on IR-matrix and Raman measurements is given and the valence force constants of CF3SBr are calculated.
    Notes: Es wird über ein verbessertes Verfahren zur Darstellung von CF3SB1 und die Bestimmung der Molekülstruktur durch Elektronenbeugung berichtet. Folgende Parameter werden erhalten (rα°-Werte in Å und Grad): C—F = 1,331(3), C—S = 1,814(6), S—Br = 2,162(6), CSBr = 99,4(3), FCF = 108,7(9), Tilt = 5,5(5).Auf Grund von IR-Matrix- und Raman-Messungen erfolgt eine Neuzuordnung der Schwingungsfrequenzen, die durch eine Normalkoordinatenanalyse unterstützt wird.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19855311206
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  • 13
    Electronic Resource
    Electronic Resource
    The gas-phase structure of bis(fluorosulfonyl)difluoromethane, (SO2F)2CF2 (1994)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 620 (1994), S. 822-826 
    Details
    ISSN: 0044-2313
    Keywords: Bis(fluorosulfonyl)difluoromethane ; gas-phase structure ; conformation ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Die Gasphasen-Struktur von Bis(fluorosulfonyl)difluormethan, (SO2F)2CF2Es wird über neue Syntheseverfahren und das Infrarotspektrum von Bis(fluorsulfonyl) Difluormethan, (SO2F)2CF2 berichtet. Die geometrische Struktur und die Konformationseigenschaften dieser Verbindung wurden mittels der Elektronenbeugung an Gasen untersucht. Je nach Stellung der zwei SO2F Gruppen können vier Konformere mit unterschiedlichen Symmetrien auftreten: C2v Symmetrie, falls beide S—F Bindungen auf Lücke zu CF2 stehen, C2 oder Cs Symmetrie, falls eine S=O Bindung jeder SO2F Gruppe auf Lücke zu CF2 steht und C1 Symmetrie, falls eine S—F und eine S=O Bindung auf Lücke zu CF2 stehen. Die experimentellen Elektronenbeugungsintensitäten können mit einem C1 Konformeren oder mit einem Gemisch aus C2v, C2 und Cs Konformeren im Verhältnis 3:2:5 nahezu gleich gut angepaßt werden. Die folgenden geometrischen Parameter (ra Abstände und ∠α Winkel mit 3σ Fehlergrenzen) wurden erhalten: C—F = 1,340(6) Å, S=O = 1,412(2) Å, S—F = 1,550(3) Å, C—S = 1,848(4) Å, S—C—S = 113,6(7)°, F—C—F = 110,0(10)°, O=S=O = 124,6(18)°, C—S—F = 96,5(16)° und C—S=O = 108,4(14)°.
    Notes: New synthetic pathways and the infrared spectrum of bis(fluorosulfonyl)difluoromethane, (SO2F)2CF2, are reported. The geometric structure and conformational properties of the title compound have been studied by gas electron diffraction. Depending on the rotational position of the two SO2F groups, four conformers with different symmetries can occur in this compound: C2v symmetry, if both S—F bonds stagger the CF2 group. C2 or Cs symmetry, if one S=O bond of each group staggers the CF2 group. The experimental electron diffraction intensities can be fitted equally well with a C1 conformer or with a mixture of C2v, C2 and Cs conformers, in a ratio of 3:2:5. The following geometric parameters (ra distances, ∠α angles with 3σ uncertainties) were derived: C—F = 1.340(6) Å, S=O = 1.412(2) Å, S—F = 1.550(3) Å, C—S = 1.848(4) Å, S—C—S = 113.6(7)°, F—C—F = 110.0(10)°, O=S=O = 124.6(18)°, C—S—F = 96.5(16)° and C—S=O = 108.4(14)°.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19946200512
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  • 14
    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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  • 15
    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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