PREDICTING INFRARED INTENSITIES OF FLUORINATED METHANE DERIVATIVES
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Date
1976
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Ohio State University
Abstract
Using the atomic polar $tensor^{1}$ for hydrogen and fluorine from $CH_{3}F$ and $CH_{3}Cl^{2}$ we have predicted the absolute infrared intensities for the fundamental absorption bands of $CH_{2}F_{2}, CHF_{3}$, and $CF_{4}$. The predicted spectra are compared with the experimental spectra. At this stage the agreement between the predictions and the experimental spectra is not perfect, but the procedure shows considerable promise for future predictions of this sort. In addition, predicted spectra for $CF_{2}$ and $CF_{3}$ radicals will be discussed.
Description
C. B. Suarez has been an NRC-NAS NASA Resident Research Associate.
Author Institution: Department of Chemistry, University of Florida
Author Institution: Department of Chemistry, University of Florida