π-Hydrogen Bonding in Liquid Water

被引：127

作者：

Gierszal, Kamil P. ^{[1
]}

Davis, Joel G. ^{[1
]}

Hands, Michael D. ^{[1
]}

Wilcox, David S. ^{[1
]}

Slipchenko, Lyudmila V. ^{[1
]}

Ben-Amotz, Dor ^{[1
]}

机构：

[1] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2011年 / 2卷 / 22期

基金：

美国国家科学基金会;

关键词：

DIP INFRARED-SPECTROSCOPY; AROMATIC-HYDROCARBONS; HIGH-TEMPERATURES; BENZENE; HYDRATION; HEXAFLUOROBENZENE; SOLVATION; MOLECULES; DYNAMICS; CLUSTERS;

D O I：

10.1021/jz201373e

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 the experimental observation and quantitation of pi-hydrogen bond formation between liquid water and benzene using Raman multivariate curve resolution (Raman-MCR) combined with quantum and classical (cluster and liquid) calculations. Our results establish that pi-hydrogen bonds between liquid water and benzene are weaker and more flexible (have a more positive enthalpy and entropy) than bulk water hydrogen bonds. We further establish that such bonds also form between water and other aromatics, including the amino acid phenylalanine, thus implying their common occurrence at hydrated biological interfaces.

引用

页码：2930 / 2933

页数：4

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