NORMAL COORDINATES FOR VINYL FLUORIDE AND THE SEVEN DEUTEROVINYL FLUORIDES
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Date
1966
Authors
El-Sabban, M. Z.
Zwolinski, B. J.
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Annual coordinate calculation was carried out for these eight isotopic molecules based mainly on the experimental data reported by Bak and $Christensen.^{1}$ A perturbation program was used and the most general quadratic valence force potential function was assumed. A six-constant potential function did reproduce very closely the 24 out-of-plane vibrations. The results agree very well with those of Scherer and $Potts.^{2}$ A least-squares fit of the 72 calculated to the observed in-plane frequencies was obtained using a 45-constant potential function. On the basis of these calculations, the in-plane fundamental vibrational assignments of Bak and Christensen were reexamined and modified. The new assignments as well as the final set of potential functions will be presented and discussed.
Description
$^{1}$ B. Bak and D. Christensen, Spectrochim, Acta 12, 355 (1958). $^{2}$ J. R. Scherer and W. J. Potts, J. Chem Phys. 31, 1691 (1959).
Author Institution: Department of Chemistry, Thermodynamic Research Center Texas A\&M University
Author Institution: Department of Chemistry, Thermodynamic Research Center Texas A\&M University