The application of an effective nuclear charge model to the prediction of valence force constants in tetrahedral XY4 molecules. III

Abstract

With the use of effective nuclear charges defined from the quadratic force constants of homonuclear diatomic molecules, calculations of valence force constants for tetrahedral XY4 molecules are carried out illustrating the effective nuclear charge model previously developed. The calculated results are compared with the experimental force constants which are determined by the normal coordinate analysis. The agreement between the calculated and experimental force constants is moderately good for most molecules under investigation. This suggests that the effective nuclear charge model is useful for the prediction of approximate valence force constants in more complicated polyatomic molecules.