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On the Rotational Analysis of the Ground Vibrational State of CH3D Molecule.

The rotational analysis in the ground vibrational state has been carried out for CH3D by using the ground state combination differences. More than 1500 allowed and 2500 forbidden transitions from the fundamental bands nu3, nu5, and nu6 were used to determine 12 rotational parameters, which reproduce the observed combination differences within an accuracy of 1.0 x 10(-4) cm-1. Altogether ten independent a1-a2 (K = 3) splittings with J >/= 10 in the vibrational ground state were observed and analyzed both with supercombination differences method [O. N. Ulenikov, S. Alanko, M. Koivusaari, and R. Anttila, Chem. Phys. Lett. 268, 242-248 (1997)] and by generating energy levels from Hamiltonian. Problems in simultaneous determination of epsilon; and &htilde;3 constants responsible for such splittings are discussed. Copyright 1999 Academic Press.