CaltechAUTHORS
Published September 1, 1971 | Version public
Journal Article Metadata-only

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

Creators

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.

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.

Additional details

Identifiers

Eprint ID
60990
DOI
10.1021/ja00747a022
Resolver ID
CaltechAUTHORS:20151012-133437860

Funding

NSF

Dates

Created
2015-10-15
Created from EPrint's datestamp field
Updated
2021-11-10
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Caltech Custom Metadata

Other Numbering System Name
Caltech Gates and Crellin Laboratories
Other Numbering System Identifier
4155