Millimeter-Wave Spectra and Global Torsion-Rotation Analysis for the CH(3)OD Isotopomer of Methanol.
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) = 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 </= 20 and K </= 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 +/-100 kHz for almost all of the microwave and millimeter-wave lines and +/-6 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 -1E v(t) = 0 substates is successfully modeled by the fit. Copyright 2000 Academic Press.
Walsh
MS
Department of Physics, University of New Brunswick, Fredericton, New Brunswick, E3B 5A3, Canada
Xu
LH
Lees
RM
Mukhopadhyay
I
Moruzzi
G
Winnewisser
BP
Albert
S
Butler
RA
DeLucia
FC