The Band Envelopes of Unsymmetrical Rotator Molecules. I. Calculation of the Theoretical Envelopes

Abstract

Since the majority of molecules of chemical interest are too heavy to permit resolution of the rotational structure of the infra-red bands, it is of interest to find what information can be derived from a study of the band envelopes. Considerations of the type which Gerhard and Dennison have made for symmetrical molecules have been extended to the unsymmetrical rotator. By the use of an approximation method the envelopes of the three elementary types of band have been calculated for nine different sets of molecular parameters.