CALCULATION OF MOLECULAR PARAMETERS FOR ISOTOPOMERS OF $CD_{3}OH$ SPECIES OF METHANOL
Loading...
Date
2000
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
Tortion-rotational constants have been determined for $^{12}C$ and $^{13}C$ isotopomers of the $CD_{3}OH$ species of methanol with O-16, 17 and 18, using the calculation procedure based on the centrifugal distortion theory for a molecule containing a three-fold symmetric internal $rotor.^{a}$ These parameters have also been obtained by fitting to observed microwave $lines^{b}$ for $^{12}CD^{16}_{3} OH$ in which a correction-free reduced $Hamiltonian^{c}$ has been used. It is shown that all of the calculated constants are in better agreement with the fitting ones for this molecule than those for the other species of methanol.
Description
$^{a}$Y.B. Duan and K. Takagi, Phys. Lett. A 207, 203 (1995). $^{b}$M.S. Walsh, Li-Hong Xu, and R.M. Less, J. Mol. Spectrosc. 188. 85(1998); A. Predoi-Cross, Li-Hong, Xu. M.S. Walsh, R.M. Lees, M. Winnerwisser, and H. Lichau, J. Mol. Spectrosc. 188, 94 (1998). $^{c}$Y.B. Duan, L. Wang, I. Mukhopadhyay, and K. Takagi, J. Chem. Phys. 110, 929(1999).
Author Institution: Department of Physics, Toyama University
Author Institution: Department of Physics, Toyama University