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. doi:10.1021/ja00747a022. 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 | |||||||||
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| 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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| Issue or Number: | 18 | |||||||||
| DOI: | 10.1021/ja00747a022 | |||||||||
| 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: | 10 Nov 2021 22:42 |
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