title: Global Fit of Torsion-Rotational Transitions in the First Three Torsional States of CH(3)OD.
abstract: A global fit of the observed high-resolution microwave (MW), millimeter-wave (MMW), and Fourier transform far-infrared (FIR) spectra for CH(3)OD has been performed using a reduced torsion-rotational Hamiltonian that is obtained from the one-large-amplitude internal-rotation model. The CH(3)OD data set contains 460 MW and MMW transitions with two or fewer quanta in the torsion, v(t) </= 2, and 2348 Fourier transform FIR transitions with v(t) </= 1 and J </= 21. The MW and MMW transitions have been fitted with a root-mean-square (rms) deviation of 0.11 MHz (0.098 MHz for J </= 10) while FIR transitions have a rms deviation of 0.0002 cm(-1). These deviations are approximately equal to the experimental uncertainties, indicating that the MW, MMW, and FIR spectral transitions have been fit to experimental accuracy. Copyright 2000 Academic Press.
authors.affiliation: Department of Chemistry, The Ohio State University, Columbus, Ohio, 43210
authors.initials: YB
authors.lastname: Duan
authors.initials: AB
authors.lastname: McCoy