An IAM Theory for Internal Rotation in Completely Asymmetric Molecules. Application to the Analysis of the Microwave Spectra of $CH_{2}DOH$ and $CHD_{2}OH$.

Liu, Mujian; Quade, C. R.

An IAM Theory for Internal Rotation in Completely Asymmetric Molecules. Application to the Analysis of the Microwave Spectra of $CH_{2}DOH$ and $CHD_{2}OH$.

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Date

1989

Authors

Liu, Mujian

Quade, C. R.

Publisher

Ohio State University

Abstract

An IAM theory has been developed for application in the spectral analysis of $C H 2 D O H 1$ and $C H D 2 O H 2$ . Torsion-rotation term values are calculated with first principles from the molecular structure in $a 3$ single degree of internal freedom model. A modified V and G structure gives the best fit to the data, even improving upon the phenomonological approach reported with the $s p e c t r a . 1,2$ However, it is clear from the spectral fit that vibration-rotation-internal rotation interactions are also important.

Description

$1$ Microwave detection of direct trans to gauche transitions in $C H 2 D O H$ . C. F. Su and C. R. Quade. (To appear in J. Mol. Spec. spring '89). $2$ Microwave detection of direct gauche to trans transitions in $C H D 2 O H$ . C. F. Su and C. R. Quade, J. Chem. Phys. 90, 1396(1989). $3$ P. Venkateswarlu and H. Gordy, J. Chem. Phys. 32, 1200(1955).

Author Institution: Department of Physics, Texas Tech University

URI

http://hdl.handle.net/1811/17950

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1980-1989

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