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Substituent effects and the in-plane distortion of aromatic rings: a group-theoretical approach

✍ Scribed by Murray-Rust, P.

Book ID
114528857
Publisher
International Union of Crystallography
Year
1982
Weight
747 KB
Volume
38
Category
Article
ISSN
0567-7408

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## Abstract __Ab initio__ molecular orbital theory with the STO‐3G basis set is used to examine both charge and energy interactions in a series of meta‐ and para‐substituted phenylborate anions and toluenes. Comparison of the results is made with data for substituted anilinium cations. It is conclu