水团簇中的水偶极矩。

The Water Dipole Moment in Water Clusters.

作者信息

Gregory JK, Clary DC, Liu K, Brown MG, Saykally RJ

机构信息

J. K. Gregory, Department of Chemistry, University of Cambridge, Cambridge CB2 1EW, UK. D. C. Clary, Department of Chemistry, University College London, London WC1H OAJ, UK. K. Liu, M. G. Brown, R. J. Saykally, Department of Chemistry, University of California, Berkeley, CA 94720, USA.

出版信息

Science. 1997 Feb 7;275(5301):814-7. doi: 10.1126/science.275.5301.814.

DOI:10.1126/science.275.5301.814

PMID:9012344

Abstract

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.

摘要

在凝聚相中，水分子的平均偶极矩相对于孤立单体增强了约40%。这种增强是由周围单体诱导的电场引起的大极化导致的。这种极化的定量分子描述对于模拟水合现象至关重要。这项关于小水簇中偶极矩的理论与实验相结合的研究提供了这样一种描述，并且还深入了解了液态水的结构。