The influence of torsional vibrations on the molecular configuration determined by gas electron diffraction

L. V. Vilkov, N. P. Penionzhkevich, J. Brunvoll, I. Hargittai

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

As a consequence of intramolecular vibrations distorted apparent structures may result from an electron diffraction analysis of molecules possessing symmetrical equilibrium configuration. The amount of torsional distortion gives information concerning the barrier height to internal rotation. An approach is suggested to estimate barrier heights on the basis of average torsional angles as determined from electron diffraction, and expressions of the rotation-dependent distances as obtained from a Taylor expansion by neglecting higher order terms.

Original languageEnglish
Pages (from-to)109-115
Number of pages7
JournalJournal of Molecular Structure
Volume43
Issue number1
DOIs
Publication statusPublished - Jan 1978

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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