Do more strongly hydrogen-bonded water molecules reorient more slowly ?

被引:113
作者
Laage, Damien
Hynes, James T.
机构
[1] Ecole Normale Super, Dept Chim, CNRS, UMR8640,PASTEUR, F-75231 Paris 05, France
[2] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA
基金
美国国家科学基金会;
关键词
D O I
10.1016/j.cplett.2006.11.035
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 study how water OH reorientation dynamics' short and long-time contributions depend on the hydrogen(H) -bond strength. The initial librational reorientation occurs within a cone. We show quantitatively that the stronger the H-bond, the smaller the cone angle and librational reorientation amplitude. The long-time decay is independent of the initial OH center dot center dot center dot O H-bond strength, as explained by our recently proposed molecular jump mechanism for the water reorientation mechanism: in the vast majority of (transient) H-bond breaking events, a new H-bond partner is unavailable and the reorientation is unsuccessful; successful reorientation requires this availability, which is independent of the H-bond strength. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码:80 / 85
页数:6
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