Abstract
Literature data on the CO-stretching and the ground-state torsion-rotation spectra of the CH3OD isotopic species of methanol have been exploited to extrapolate the ground-state energies to higher J through use of ground-state combination differences derived from the CO-stretching wavenumbers. In particular, the J-dependence has been extended and better defined for the difficult |K| = 0 to 2 E energy level sequences, which are strongly affected by molecular asymmetry. The pattern of the J-dependence is found to be qualitatively well reproduced by a simple 11 × 11 Hamiltonian model incorporating ΔK = ±1 and ±2 off-diagonal asymmetry matrix elements. The results suggest partial reassignment of certain CO-stretching subbands, and the K = 8 and 9 A subbands have been newly identified through clues from reported far-infrared laser (FIRL) emission. Transition combination loops support a number of FIRL line assignments previously proposed, but show that the FIRL system pumped by the 9R(4) CO2 line must be reassigned.
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Lees, R.M. A Note on CH3OD Spectra, Ground-State Energies and FIR Laser Assignments. International Journal of Infrared and Millimeter Waves 21, 1787–1805 (2000). https://doi.org/10.1023/A:1006727701859
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DOI: https://doi.org/10.1023/A:1006727701859