Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

3-1973

Journal or Book Title

Journal of the American Chemical Society

Volume

95

Issue

6

First Page

1753

Last Page

1760

DOI

10.1021/ja00787a010

Abstract

The internal rotation barriers of methylamine, methyl alcohol, propene, and acetaldehyde are investigated within the context of localized charge distributions defined in earlier papers. It is shown that, as for ethane, hydrogen peroxide, and borazane, the barriers can be understood in terms of changes in vicinal interference interactions within those orbitals adjacent to the axial bond. These vicinal interactions are compared with those in molecules studied previously. Such a comparison leads to a straightforward explanation of the observed trends in the barriers.

Comments

Reprinted (adapted) with permission from Journal of the American Chemical Society 95 (1973): 1753, doi:10.1021/ja00787a010. Copyright 1973 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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