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

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.