NORMAL COORDINATES FOR VINYL CHLORIDE AND THE SEVEN DEUTEROVINYL CHLORIDES.
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Publisher:Ohio State University
Available vibrational data on the eight isotopic molecules were used to carry out a normal coordinate treatment for the purpose of properly assigning the 72 in-plane and 24 out-of-plane fundamental vibrations. A 7094 digital computer was used and the most general quadratic valence force potential function was assumed. Through a perturbation program, the set of the 36 involved potential constants of the in-plane potential function was obtained, that gave the best least-squares fit of the calculated to the observed fundamentals. The final set of potential constants reproduced all the 72 assigned in-plane fundamentals of the eight molecules to within about one percent. The final fundamental assignments as well as the final set of potential constants will be presented and discussed. Normal coordinates for the out-of-plane vibrations are in progress.
Author Institution: Chemical Thermodynamic Properties Center, Department of Chemistry, Texas A\&M University