Systematics of vibrational intensities for “diatomic” molecules: Approximate formulas

Abstract

Several approximations are discussed which enable one to estimate electric dipole moment transition matrix elements for diatomic molecules based on a very limited amount of experimental data. For strongly polar molecules, a simplistic point-charge dipole model in which there is no vibrational charge flux predicts a simple relation between the permanent moment, M 0, and its derivative with respect to internuclear separation, M 1. This is found to be approximately valid for a surprisingly large number of polar molecules. Next, approximate matrix elements for the fundamental and overtone bands are presented for a linear dipole moment function. Finally, systematic trends for molecules having similar electronic structures are investigated and combined with the approximations discussed above in order to estimate the transition moments for several molecules of astrophysical interest. An extension to the ν 3 fundamental and overtone bands of CH 4 is suggestive that some of these ideas may be applicable to certain polyatomic molecules as well.