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An AM1 study of the effects of intermolecular interactions on hyperpolarizability of p-nitroanilines

โœ Scribed by Tamio Yasukawa; Tetsuya Kimura; Masaki Uda

Publisher
Elsevier Science
Year
1990
Tongue
English
Weight
289 KB
Volume
169
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The effects of intermolecular interactions on the hyperpohuizabihty of pnitroanilines have been studied by a semi-empirical quantum method, AM 1. It was found that the hyperpolarizability of the assembly of pnitroanilines deviates appreciably from the simple sum of the contributions from component molecules under certain conditions. This effect is discussed in terms of electrostatic effects, hydrogen bonding and intermolecular donor-acceptoer interactions.

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