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Open Access. Powered by Scholars. Published by Universities.®

University of Connecticut

2010

Ab initio calculations

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Microwave Spectroscopy And Structures Of Several Substituted Acetylenes And Fluorocarbons, Joseph A. Fournier May 2010

Microwave Spectroscopy And Structures Of Several Substituted Acetylenes And Fluorocarbons, Joseph A. Fournier

Honors Scholar Theses

The structures of two substituted acetylene compounds have been characterized from their microwave rotational spectra. In the first study, two structures of 6-methyl-3-heptyne have been determined. This compound can be thought of as an ethyl group separated from an isobutyl group by a C≡C spacer. Both structures have the ethyl and isobutyl groups eclipsed, consistent with the dominant interaction determining the orientation about the acetylene axis being the weak dispersion attraction between the end groups. One structure is with the isobutyl group in a symmetric conformation and the other with the isobutyl group asymmetric. In addition, the microwave spectrum of …