Understanding barriers to internal rotation in toluene, phenylsilane, and their cations

Kueih-Tzu Lu; James C. Weisshaar

doi:10.1117/12.178109

17 June 1994 Understanding barriers to internal rotation in toluene, phenylsilane, and their cations

Kueih-Tzu Lu, James C. Weisshaar

Proceedings Volume 2124, Laser Techniques for State-Selected and State-to-State Chemistry II; (1994) https://doi.org/10.1117/12.178109
Event: OE/LASE '94, 1994, Los Angeles, CA, United States

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.

Citation Download Citation

Kueih-Tzu Lu and James C. Weisshaar "Understanding barriers to internal rotation in toluene, phenylsilane, and their cations", Proc. SPIE 2124, Laser Techniques for State-Selected and State-to-State Chemistry II, (17 June 1994); https://doi.org/10.1117/12.178109

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