On the rotational contributions to the dipole-moment derivatives

Abstract

In order to get dipole-moment derivatives, ∂ú/∂Sj that are free from rotational contributions, we used Crawford's method applied to a new type of reference molecule. The agreement with earlier calculated rotational correction terms is good, the applicability of the new reference molecule is wider. The rotational contributions to the ∂ú/∂Sj-quantities are presented for a number of C2v- and C3v-type molecules.