Normal coordinate treatment and assignment of fundamental vibrations of vinyl chloride and the seven deuterovinyl chlorides

Abstract

The assignments of the fundamental wave numbers of vinyl chloride and the seven deuterovinyl chlorides have been reinvestigated on the basis of a normal coordinate treatment with a valence force type potential function. A six-constant out-of-plane and a 25-constant in-plane potential function reproduced the observed fundamental wave numbers very satisfactorily. The present calculations remove the violations to Rayleigh's rule in the hitherto adopted fundamental assignments and give reliable estimates of the uncertain or unobserved fundamental wave numbers.