Internal axis molecular parameters, torsional energies and matrix elements of methyl mercaptan-D 2

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In this paper an internal axis method Hamiltonian model has been applied to evaluate the torsional–rotational molecular parameters of asymmetrically substituted methyl mercaptan (CHD 2SH) using previously observed microwave transitions. The torsional potential barrier function V 2 has been obtained. The pure torsional energies and matrix elements between various torsional sub-levels up to the fourth excited torsional state in the ground vibrational state have been determined. The matrix elements and the torsional energies will be of great value to researchers seeking the spectrum of this molecule.