Raman Band Contours. Some Prolate Symmetric Top Molecules

Abstract

New values of Coriolis ζ constants for some prolate symmetric top molecules are determined from observed gas-phase Raman band contours using a generalized Raman-infrared computer program. Using arguments based on the forms of the normal coordinates, it is shown that these values are supported by known ζ values for a number of related molecules. These values also give good agreement between predicted and observed gas-phase infrared band contours. The relative merits of Raman and infrared band contour calculations for these molecules are discussed.