Electronic and vibrational dynamic solvent effects on Raman spectra

被引：37

作者：

Cappelli, C

Corni, S

Tomasi, J

机构：

[1] Scuola Normale Super Pisa, I-56126 Pisa, Italy

[2] Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy

来源：

JOURNAL OF CHEMICAL PHYSICS | 2001年 / 115卷 / 12期

关键词：

D O I：

10.1063/1.1396678

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：

We report a methodology for the theoretical evaluation of nonequilibrium solvent effects on Raman intensities within the nonequilibrium Polarizable Continuum Model. Effects due to an incomplete solvent response both to the external field-induced oscillation in the solute electronic density and to molecular vibrations are considered. The extent of such effects on absolute scattering factors and relative intensities of few simple molecules (HCHO, FCHO, FCFO, ClCHO, CICClO) in various solvents are discussed. (C) 2001 American Institute of Physics.

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页码：5531 / 5535

页数：5

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