How many waters are necessary to dissolve a rock salt molecule?

被引:89
作者
Jungwirth, P [1 ]
机构
[1] Acad Sci Czech Republ, J Heyrovsky Inst Phys Chem, CR-18223 Prague 8, Czech Republic
关键词
D O I
10.1021/jp993010z
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
It is textbook knowledge that in order to dissolve rock: salt in liquid water at ambient conditions at least nine water molecules per salt molecule are needed. An Obvious but until now unsolved question arises: How many water molecules are necessary to solvate a Single sodium chloride molecule? In other words, what is the smallest water cluster in which a solvent separated Na+/Cl- ion pair becomes stabilized? The answer, based on accurate quantum chemical calculations, is that simple extrapolation from the liquid is quantitatively wrong and that the hexamer represents the smallest water species that dissolves the NaCl molecule.
引用
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页码:145 / 148
页数:4
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