An effective nuclear charge model for the evaluation of valence force constants in XY3Z molecules

Abstract

With the use of effective nuclear charge defined from the quadratic force constants of homonuclear diatomic molecules, calculation of valence force constants for XY3Z type molecules are carried out. The calcula¬ ted results are compared with the force constants which are determined by normal coordinate analysis. The agreement is fairly good in most of the molecules. This suggests that the effective nuclear charge model is useful for the prediction of approximate valence constants in complicated polyatomic molecules.