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Nuclear Magnetic Resonance Spectroscopy. Barriers to Internal Rotation in Some Halogenated Methylbutanes

Roberts, John D. and Hawkins, Bruce L. and Bremser, Wolfgang and Borcić, S. (1971) Nuclear Magnetic Resonance Spectroscopy. Barriers to Internal Rotation in Some Halogenated Methylbutanes. Journal of the American Chemical Society, 93 (18). pp. 4472-4479. ISSN 0002-7863. https://resolver.caltech.edu/CaltechAUTHORS:20151012-133437860

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Abstract

Barriers to internal rotation about the C(2)-C(3) bonds have been determined for ten closely related halogenated methylbutanes by detailed line-shape analysis of their nuclear magnetic resonance spectra. The experimental barriers range from 9 to 16 kcal/mol. In addition, for some of the compounds investigated, free energy differences were obtained for rotational isomers under conditions of slow conformational exchange. The results are discussed in terms of possible contributing nonbonded interactions.


Item Type:Article
Related URLs:
URLURL TypeDescription
http://dx.doi.org/10.1021/ja00747a022DOIArticle
http://pubs.acs.org/doi/abs/10.1021/ja00747a022PublisherArticle
Additional Information:© 1971 American Chemical Society. Received October 29, 1970. Supported by the National Science Foundation; presented at the 161st National Meeting of the American Chemical Society, Los Angeles, Calif. March 31, 1971.
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NSFUNSPECIFIED
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Caltech Gates and Crellin Laboratories4155
Issue or Number:18
Record Number:CaltechAUTHORS:20151012-133437860
Persistent URL:https://resolver.caltech.edu/CaltechAUTHORS:20151012-133437860
Official Citation:Nuclear magnetic resonance spectroscopy. Barriers to internal rotation in some halogenated methylbutanes John D. Roberts, Bruce L. Hawkins, Wolfgang Bremser, and S. Borcic Journal of the American Chemical Society 1971 93 (18), 4472-4479 DOI: 10.1021/ja00747a022
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:60990
Collection:CaltechAUTHORS
Deposited By: Ruth Sustaita
Deposited On:15 Oct 2015 04:36
Last Modified:03 Oct 2019 09:03

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