OH stretch IR spectra of (H2O)(3) and benzene-(H2O)(3)

被引：31

作者：

Fredericks, SY

Pedulla, JM

Jordan, KD

Zwier, TS

机构：

[1] UNIV PITTSBURGH,DEPT CHEM,PITTSBURGH,PA 15260

[2] PURDUE UNIV,DEPT CHEM,W LAFAYETTE,IN 47907

来源：

THEORETICAL CHEMISTRY ACCOUNTS | 1997年 / 96卷 / 01期

关键词：

clusters; hydrogen bonding; vibrational frequencies;

D O I：

10.1007/s002140050203

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 OH stretch IR spectrum of (H2O)(3) is significantly altered upon complexation of the cluster with a benzene molecule. Theoretical calculations show that the differences in the OH stretch spectra of (H2O)(3) and benzene-(H2O)(3) are primarily due to mode localization induced by the benzene molecule.

引用

页码：51 / 55

页数：5

共 51 条

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