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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Title: An IAM Theory for Internal Rotation in Completely Asymmetric Molecules. Application to the Analysis of the Microwave Spectra of $CH_{2}DOH$ and $CHD_{2}OH$.
Creators: Liu, Mujian; Quade, C. R.
Issue Date: 1989
Publisher: Ohio State University
Abstract: An IAM theory has been developed for application in the spectral analysis of $CH_{2}DOH^{1}$ and $CHD_{2}OH{^{2}}$. 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 $spectra.^{1,2}$ 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 $CH_{2}DOH$. 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 $CHD_{2}OH$. 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
Other Identifiers: 1989-TC-6
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