The water dipole moment in water clusters
The water dipole moment in water clusters
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DOI：
10.1126/science.275.5301.814
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发表时间：
1997-02-07
期刊：
影响因子：
56.9
通讯作者：
Saykally, RJ
中科院分区：
文献类型：
--
作者：
Gregory, JK;Clary, DC;Saykally, RJ
凝聚相中的水分子的平均偶极矩相对于孤立单体的平均偶极矩提高了约40%。这种增强是由周围单体诱导的电场引起的大极化引起的，这种极化的定量分子描述对于模拟水溶液溶剂化现象至关重要。这种对小水团簇中偶极矩的理论和实验相结合的研究提供了这样的描述，也为液态水的结构提供了见解。
The average dipole moment of a water molecule in the condensed phase is enhanced by around 40 percent relative to that of an isolated monomer. This enhancement results from the large polarization caused by the electric field induced by surrounding monomers, A quantitative molecular description of this polarization is essential for modeling aqueous solvation phenomena. This combined theoretical and experimental study of dipole moments in small water clusters provides such a description and also gives insights into the structure of liquid water.