EVIDENCE OF THE EXISTENCE OF DISSOCIATED WATER-MOLECULES IN WATER CLUSTERS - COMMUNICATIONS

被引：53

作者：

LEE, C ^{[1
]}

SOSA, C ^{[1
]}

NOVOA, JJ ^{[1
]}

机构：

[1] UNIV BARCELONA,FAC QUIM,DEPT QUIM FIS,E-08028 BARCELONA,SPAIN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 103卷 / 10期

关键词：

D O I：

10.1063/1.470675

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：

The dissociation of water molecules in the water cluster was investigated using ab initio methods and density functional theory. A stable minimum energy configuration of a cluster containing H3O+ and OH- ions was located for a water cluster with five water molecules, (H2O)(5). There are six hydrogen bonds in the dissociated water cluster to form the minimum energy structure. A similar structure with H3O+ and OH- ions was also found for a (H2O)(8) cluster. (C) 1995 American Institute of Physics.

引用

页码：4360 / 4362

页数：3

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