Molecular structure of 1,3,5-trifluorobenzene: comparison of the results of two electron diffraction studies

Fabio Ramondo, Gustavo Portalone, Aldo Domenicano, György Schultz, István Hargittai

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10 Citations (Scopus)

Abstract

The gas-phase molecular structure of 1,3,5-trifluorobenzene, determined some years ago by electron diffraction (A. Almenningen, J. Mol. Struct., 116 (1984) 199), has been redetermined using experimental data from a different apparatus. This has led to the following geometrical parameters: rg(CC) = 1.389 ± 0.003 Å, rg(CF) = 1.346 ± 0.003 Å, rg (CH) = 1.096 ± 0.006 Å, ∠ CC(F)C = 123.9 ± 0.1°. While rg(CC) and ∠ CC(F)C have equal values from the two studies within experimental error, appreciable differences occur in the other geometrical parameters and in a number of important amplitudes of vibration. The amplitudes from the present study are in good agreement with those obtained in our laboratories for other fluorosubstituted derivatives of benzene, and with spectroscopically calculated values.

Original languageEnglish
Pages (from-to)367-373
Number of pages7
JournalJournal of Molecular Structure
Volume269
Issue number3-4
DOIs
Publication statusPublished - Jun 1992

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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