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
收藏
页码：51 / 55
页数：5
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