15min:
AN ANALYSIS OF VIBRATION-TORSION-ROTATION INTERACTIONS AND SPECTRA FOR A MOLECULE WITH AN INTERNAL ROTOR.

YUN-BO DUAN, Department of Electronics and Computer Science, Toyama University,
Toyama 930, Japan; KOJIRO TAKAGI, Department of Physics, Toyama University, Toyama 930, Japan.

Based on the analysis of order of magnitude of the term Hmln in a Hamiltonian, a new scheme of the ordering by magnitude is proposed to analyze the vibration-torsion-rotation interactions for molecules with internal rotations, in which the order of the torsional angular momentum term with P_\gamma2 is considered to be just between those of the vibrational angular momentum term with pk2 and the rotational angular momentum term with P2 (or Pa2). Therefore, the importance of torsional problem is emphasized. The sequential contact transformation technique is applied to the vibration-torsion-rotation Hamiltonian for a molecule containing a threefold symmetric internal rotor, which makes it possible to analyze clearly various higher-order vibration-torsion-rotation interactions and their effects in the vibration-torsion-rotation spectra. A reduced torsion-rotation Hamiltonian for the molecule with C3v(M) symmetry is given in the new ordering scheme and is applied to analyze the spectra of CH3OH and CH318OH. Some new lines are observed for CH318OH.