A Caltech Library Service

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. doi:10.1021/ja00747a022.

Full text is not posted in this repository. Consult Related URLs below.

Use this Persistent URL to link to this item:


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
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.
Funding AgencyGrant Number
Other Numbering System:
Other Numbering System NameOther Numbering System ID
Caltech Gates and Crellin Laboratories4155
Issue or Number:18
Record Number:CaltechAUTHORS:20151012-133437860
Persistent URL:
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
Deposited By: Ruth Sustaita
Deposited On:15 Oct 2015 04:36
Last Modified:10 Nov 2021 22:42

Repository Staff Only: item control page