F. Ramondo, G. Portalone, A. Domenicano
Jun 1, 1992
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0
Influential Citations
9
Citations
Journal
Journal of Molecular Structure
Abstract
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: r g (CC) = 1.389 ± 0.003 A, r g (CF) = 1.346 ± 0.003 A, r g (CH) = 1.096 ± 0.006 A, ∠ CC(F)C = 123.9 ± 0.1°. While r g (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.