AN AM1 STUDY OF THE EFFECTS OF INTERMOLECULAR INTERACTIONS ON HYPERPOLARIZABILITY OF PARA-NITROANILINES

被引：21

作者：

YASUKAWA, T

KIMURA, T

UDA, M

机构：

[1] Material Systems Engineering, Faculty of Technology, Tokyo University of aGriculture and Technology, Koganei, Tokyo

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 169卷 / 03期

关键词：

D O I：

10.1016/0009-2614(90)85197-K

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The effects of intermolecular interactions on the hyperpolarizability of p-nitroanilines have been studied by a semi-empirical quantum method, AM1. It was found that the hyperpolarizability of the assembly of p-nitroanilines 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. © 1990.

引用

页码：259 / 262

页数：4

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