The Molecular Structure of Benzotrifluoride as Studied by Gas Electron Diffraction

György Schultz, I. Hargittai, Ragnhild Seip

Research output: Contribution to journalArticle

24 Citations (Scopus)

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 (Cmethy1−Cpheny1) = 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 Cmethy1−Cpheny1 axis.

Original languageEnglish
Pages (from-to)669-673
Number of pages5
JournalZeitschrift fur Naturforschung - Section A Journal of Physical Sciences
Volume36
Issue number6
DOIs
Publication statusPublished - Jun 1 1981

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p.m.
Electron diffraction
Molecular structure
Diffraction
molecular structure
electron diffraction
Electron
rings
Bond length
gases
Carbon
methylidyne
Ring
Geometry
carbon
geometry
configurations
Hexagon
Mean Value
Arrangement

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Mathematical Physics
  • Physics and Astronomy(all)

Cite this

The Molecular Structure of Benzotrifluoride as Studied by Gas Electron Diffraction. / Schultz, György; Hargittai, I.; Seip, Ragnhild.

In: Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, Vol. 36, No. 6, 01.06.1981, p. 669-673.

Research output: Contribution to journalArticle

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