TORSIONAL ENERGIES, MATRIX-ELEMENTS AND RELATIVE INTENSITIES OF FAR-INFRARED ABSORPTION TRANSITIONS IN CH2DOH

In this paper, the relative intensities of far infrared transitions in the torsional ground state of asymmetrically deuterated methanol CH2D OH are reported, using an internal axis method (IAM) theory. Relative intensities are presented for all possible strong b- and c-type Far In frared (FIR) transitions upto K = 15 in the torsional vibrational grou nd state. Matrix elements for Delta K = +/-1 transitions have been cal culated upto the fourth excited torsional state. The calculations will be valuable in the assignments of far-infrared spectra and optically pumped far-infrared laser lines. The energy levels calculated will pro vide excellent data base for astrophysical detection of asymmetrically substituted methanol, which is of significant importance for the dete rmination of parameters like the D/H ratio in the universe. (C) 1997 E lsevier Science B.V.