SOLUTE ELECTRONIC-STRUCTURE AND SOLVATION IN CHEMICAL-REACTIONS IN SOLUTION

被引：21

作者：

HYNES, JT

KIM, HJ

MATHIS, JR

TIMONEDA, JJI

机构：

[1] Department of Chemistry and Biochemistry, University of Colorado, Boulder

来源：

JOURNAL OF MOLECULAR LIQUIDS | 1993年 / 57卷

关键词：

D O I：

10.1016/0167-7322(93)80047-Y

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 review is given of a recent theoretical approach to the issue of the title. Compared to past efforts, novel aspects of the theory include incorporation of nonequilibrium solvation, attention to time scales ot the electronic polarization and construction of reaction paths and free energetics. The theory is illustrated with examples of electron and proton transfer and S(N)1 ionization.

引用

页码：53 / 73

页数：21

共 136 条

[1] SUBSTITUTION AT SATURATED CARBON .14. SOLVENT EFFECTS ON FREE-ENERGIES OF IONS, ION-PAIRS, NONELECTROLYTES, AND TRANSITION-STATES IN SOME SN AND SE REACTIONS [J].