A microscopic model for the calculation of solvent effects on molecular electronic spectra. Transition energy shifts and polarizabilities of excited states of benzene

被引：21

作者：

Mantione, Marie Jose ^{[1
]}

Daudey, Jean Pierre ^{[1
]}

机构：

[1] Inst Biol Physicochim, F-75005 Paris 5, France

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 6卷 / 02期

关键词：

D O I：

10.1016/0009-2614(70)80141-5

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：

A new microscopic model for the quantitative interpretation of solvent effects on molecular electronic spectra is proposed. The interaction energy is calculated between the solute molecule and a complet shell of surrounding solvent molecules. The equilibrium configuration is obtained by a procedure of minimization of the total intermolecular energy.

引用

页码：93 / 96

页数：4

共 21 条

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[10] SOLVENT EFFECT ON PI-PI(STAR) BANDS OF PARABENZOQUINONE . SOLUTE-SOLVENT INTERACTIONS [J].

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