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

Fabio Ramondo, Gustavo Portalone, Aldo Domenicano, György Schultz, I. Hargittai

Research output: Contribution to journalArticle

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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 - 1992

Fingerprint

Benzene Derivatives
Vibration
Molecular Structure
Electron diffraction
Molecular structure
Benzene
molecular structure
electron diffraction
Gases
Electrons
Derivatives
benzene
methylidyne
vapor phases
vibration
1,3,5-trifluorobenzene

ASJC Scopus subject areas

  • Structural Biology
  • Organic Chemistry
  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Materials Science (miscellaneous)
  • Atomic and Molecular Physics, and Optics

Cite this

Molecular structure of 1,3,5-trifluorobenzene : comparison of the results of two electron diffraction studies. / Ramondo, Fabio; Portalone, Gustavo; Domenicano, Aldo; Schultz, György; Hargittai, I.

In: Journal of Molecular Structure, Vol. 269, No. 3-4, 1992, p. 367-373.

Research output: Contribution to journalArticle

Ramondo, Fabio ; Portalone, Gustavo ; Domenicano, Aldo ; Schultz, György ; Hargittai, I. / Molecular structure of 1,3,5-trifluorobenzene : comparison of the results of two electron diffraction studies. In: Journal of Molecular Structure. 1992 ; Vol. 269, No. 3-4. pp. 367-373.
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