The pervasive solvent-separated sodium chloride ion pair in water-DMSO mixtures

被引：0
|
作者：
Ashok K Das
B L Tembe
机构：
[1] Indian Institute of Technology,Department of Chemistry
[2] Veermata Jijabai Technological Institute,Department of Technical and Applied Chemistry
来源：
Proceedings / Indian Academy of Sciences | 1999年 / 111卷 / 2期
关键词：
Constrained molecular dynamics methodology; solvent mixtures; contact ion pair; solvent-separated ion pair; dimethyl sulphoxide; potential of mean force; dynamical trajectories;
D O I：
10.1007/BF02871915
中图分类号：
学科分类号：
摘要：
Sodium chloride exists as a contact ion pair (CIP) as well as a solvent-separated ion pair (SSIP) in its solutions in water and in dimethyl sulphoxide (DMSO). In a mixture of these two solvents, the CIP is not formed in the two mixture compositions with χdmso=0.35 and 0.21 and the ions stay as the SSIP near an interionic distance of 5.0 Å. This has been shown by constructing the ion-ion potentials of mean force and by following the ion-pair trajectories initiated at various initial ion-pair separations in the two solvent mixtures.
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页码：353 / 360
页数：7
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