Millimeter-Wave Spectra and Global Torsion–Rotation Analysis for the CH3OD Isotopomer of Methanol

✍ Scribed by M.S. Walsh; Li-Hong Xu; R.M. Lees; I. Mukhopadhyay; G. Moruzzi; B.P. Winnewisser; S. Albert; Rebecca A.H. Butler; F.C. DeLucia

• Publisher: Elsevier Science
• Year: 2000
• Tongue: English
• Weight: 421 KB
• Volume: 204
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.2000.8201

✦ Synopsis

New millimeter-wave and microwave measurements for CH 3 OD have been combined with previous literature data and with an extended body of Fourier transform far-infrared observations in a full global analysis of the first two torsional states (v t ϭ 0 and 1) of the ground vibrational state. The fitted CH 3 OD data set contained 564 microwave and millimeter-wave lines and 4664 far-infrared lines, representing the most recent available information in the quantum number ranges J Յ 20 and K Յ 15. A 53-parameter converged global fit was achieved with an overall weighted standard deviation of 1.060, essentially to within the assigned measurement uncertainties of Ϯ100 kHz for almost all of the microwave and millimeter-wave lines and Ϯ6 MHz for the far-infrared lines. The new parameters for CH 3 OD are compared to previous results obtained for the 12 CH 3 OH, 13 CH 3 OH, and CD 3 OH isotopomers over the same quantum number ranges using the identical fitting program. Strong asymmetry-induced coupling between the accidentally near-degenerate 0E and Ϫ1E v t ϭ 0 substates is successfully modeled by the fit.