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Proceedings Paper

Understanding barriers to internal rotation in toluene, phenylsilane, and their cations
Author(s): Kueih-Tzu Lu; James C. Weisshaar
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Paper Abstract

Threshold photoionization spectra of toluene+ and phenylsilane+ using the new pulsed field ionization technique resolve internal rotor states. As in the neutral S0 and S1 states, sixfold barriers to internal rotation are small in the cations, < 25 cm-1. Ab initio calculations support a donor-acceptor model that qualitatively explains why all sixfold barriers are small while some threefold barriers are much larger.

Paper Details

Date Published: 17 June 1994
PDF: 12 pages
Proc. SPIE 2124, Laser Techniques for State-Selected and State-to-State Chemistry II, (17 June 1994); doi: 10.1117/12.178109
Show Author Affiliations
Kueih-Tzu Lu, Univ. of Wisconsin/Madison (United States)
James C. Weisshaar, Univ. of Wisconsin/Madison (United States)

Published in SPIE Proceedings Vol. 2124:
Laser Techniques for State-Selected and State-to-State Chemistry II
John W. Hepburn, Editor(s)

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