Abstract
In this paper, the pure torsional energies of asymmetrically deuterated methanol CHD 2OH have been calculated up to the fourth excited torsional state in the vibrational ground state, using an internal axis method (IAM) Hamiltonian. Relative intensities for all possible strong b- and c- type far-infrared (FIR) transitions for K≤15 in the torsional vibrational ground state have also been reported. Matrix elements for all possible Δ K=±1 transitions have been calculated up to the fourth excited torsional state. The calculations will be useful in the assignments of high resolution far-infrared spectra and optically pumped far-infrared laser lines in this molecular species. The energy levels calculated will provide excellent data base for astrophysical detection in the interstellar space.
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Schedule a callMore From: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
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