SIGNATURE OF CONFORMATIONAL RELAXATION IN THE MICROWAVE SPECTRUM OF ETHYL TRIFLUOROACETATE, (CF$_3$COO-CH$_2$CH$_3$)
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Publisher:Ohio State University
Ethyl trifluoroacetate is a nearly prolate symmetric top, $\kappa$ = -0.95, which displays three series of a-type R-branch bands under low resolution conditions in a Stark-modulated spectrometer.} Since the molecule exists in only two stable conformers, the origin of the third band series has remained a puzzle for thirty years. We show that the third band series arises from rotational spectra of species undergoing exchange between the two stable forms. This is a purely microwave analog of conformational relaxation which has been observed in NMR spectra under different time, potential energy, and rate regimes.
Author Institution: Department of Chemistry, University of California, Davis, CA 95616; Dept. of Chemistry, University of Connecticut, Storrs, CT 06269-3060