VIBRATION INTERNAL-ROTATION OVERALL ROTATION INTERACTIONS IN CH3OH - DEVELOPMENT AND APPLICATION OF THE SEPARATION TRANSFORMATIONS TO THE ZEROTH ORDER KINETIC-ENERGY

The zeroth order kinetic energy is developed for the vibrating-interna lly rotating-rotating CH3OH molecule using the general theory of Guan and Quade far large amplitude internal motion-vibration-rotation inter actions in molecules. The R and T transformations are applied, respect ively, to separate internal rotation from the other vibrations and ove rall rotation from the other vibrations in zeroth order. All zeroth or der kinetic energy coefficients are calculated from the geometry and a tomic masses of the CH3OH molecule. The physical significance of the t wo transformations is discussed in detail. This paper reports the resu lts of the first segment of the many segments necessary in the calcula tions for full solution of the problem. (C) 1998 Academic Press.