A COMPUTER CALCULATION OF INTERNAL ROTATION SPLITTINGS APPLIED TO THE MICROWAVE SPECTRUM OF $FLUORAL^{\ast}$
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Date
1964
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Ohio State University
Abstract
Several hundred transitions in the microwave spectrum of normal and deuterated fluoral have been identified and measured. The rotational constants have been computed for both species, and the barrier to internal rotation determined independently from data for the ground state and the first excited torsional state. In order to obtain the barrier from the splitting data, a computer program, which carries out a very general and complete high barrier IAM treatment of internal rotation, had to be written. This program will be discussed with particular emphasis on its application to other molecules. $^{\ast}$This research was made possible by support extended Harvard University by the Office of Naval Research.
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Author Institution: Department of Chemistry, Harvard University