Understanding barriers to internal rotation in toluene, phenylsilane, and their cations
Book
·
OSTI ID:28086
- Univ. of Wisconsin, Madison, WI (United States). Dept. of Chemistry
Threshold photoionization spectra of toluene{sup +} and phenylsilane{sup +} using the new pulsed field ionization technique resolve internal rotor states. As in the neutral S{sub 0} and S{sub 1} states, sixfold barriers to internal rotation are small in the cations, < 25 cm{sup {minus}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.
- DOE Contract Number:
- FG02-92ER14306
- OSTI ID:
- 28086
- Report Number(s):
- CONF-940142--; ISBN 0-8194-1417-4
- Country of Publication:
- United States
- Language:
- English
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