The Molecular Structure of Benzotrifluoride as Studied by Gas Electron Diffraction
Open Access
- 1 June 1981
- journal article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 36 (6) , 669-673
- https://doi.org/10.1515/zna-1981-0624
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 axisKeywords
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