Steric hindrance of ion-ion interaction in electrolytes

被引：28

作者：

Aziz, EF ^{[1
]}

Freiwald, M ^{[1
]}

Eisebitt, S ^{[1
]}

Eberhardt, W ^{[1
]}

机构：

[1] BESSY mbH, D-12489 Berlin, Germany

来源：

PHYSICAL REVIEW B | 2006年 / 73卷 / 07期

关键词：

D O I：

10.1103/PhysRevB.73.075120

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The near-edge x-ray-absorption fine structure at the Na K-edge is compared for a solution of 1 M NaI in water vs ethanol. We find a strong influence of the solvent on the unoccupied electronic states locally at the Na+ ions. The experimental data are compared to theoretical spectra based on electronic structure calculations using the density functional theory approach. The calculated spectra agree well with the experimental measurements. The comparison suggests that cation-anion interaction is important in water while it can be neglected for ethanol as a solvent. The behavior upon solvent change is rationalized by inspection of the molecular orbitals giving rise to the different spectral features.

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页数：5

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