G. Schultz, I. Hargittai, R. Seip
Jun 1, 1981
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0
Influential Citations
10
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Journal
Zeitschrift für Naturforschung A
Abstract
Abstract The molecular structure of benzotrifluoride has been studied by electron diffraction. The geometry of the carbon ring is essentially regular hexagonal. The bond configuration of the trifluoromethyl group considerably departs from the regular tetrahedral arrangement. The following values were obtained for bond lengths (rg) and bond angles: r(C-C)ring- 139.7 ±0.3 pm (mean value), r(Cmethyl-Cphenyl) = 150.4 ± 0.4 pm, r(C-F) = 134.5 ±0.3 pm, r(C-H) = 109.9 ± 0.5 pm and ∢ C-C-F = 111.9 ± 0.1°. The electron diffraction data are in agreement with nearly free rotation of the -CF3 group around the Cmethyi-Cphenyi axis