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.