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Structure and Conformation of Bis(trifluoromethylthio)methane, CH2(SCF3)2

โœ Scribed by Korn, Monika ;Haas, Alois ;Oberhammer, Heinz


Publisher
Wiley (John Wiley & Sons)
Year
1995
Tongue
English
Weight
353 KB
Volume
128
Category
Article
ISSN
0009-2940

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โœฆ Synopsis


Bis(trifluoromethy1thio)methane / Gas-phase structure / Conformational properties / Electron diffraction / Calculations, ab initio

The geometric structure and conformational properties of stances r, [pm] and angles L, ["I with 3-0 uncertainties) were bis(trifluoromethylthio)methane, CH2(SCF3)2, were determi-obtained: C-S 183.6(3), S-CF3 179.3(3), S-C-S 112.1(6), ned by gas electron diffraction. The main conformer (70 f and C-S-C 98.2(10). The geometric structures and relative 15%) possesses Cz symmetry with dihedral angles conformational stabilities were well reproduced by ab initio @ ( S C S C ) = 79.1(10)". The second conformer possesses C1 calculations at the HF/3-21G* level. symmetry. The following skeletal geometric parameters (di-


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