STABILIZATION ENERGIES OF CL-, BR-, AND I- IONS IN WATER CLUSTERS

被引：115

作者：

PERERA, L

BERKOWITZ, ML

机构：

[1] Department of Chemistry, University of North Carolina, Chapel Hill

来源：

JOURNAL OF CHEMICAL PHYSICS | 1993年 / 99卷 / 05期

关键词：

D O I：

10.1063/1.466096

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：

Molecular dynamics computer simulations were performed on clusters of Cl- (H2O)n (n = 2,...,15). From the simulations we calculated the stabilization energies of the anion in the cluster. These energies were compared with the values of stabilization energies obtained from the photodetachment spectra of X-(H2O)n clusters (X = Cl-, Br-, or I-). The comparison confirms the hypothesis that the anion is attached to the water cluster.

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页码：4222 / 4224

页数：3

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