Elucidation of oxyanion coordination geometries at solid surfaces of varied electric field strengths

被引：8

作者：

Boily, Jean-Francois ^{[1
]}

机构：

[1] Umea Univ, Dept Chem, SE-90187 Umea, Sweden

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2009年 / 11卷 / 37期

关键词：

SULFATE; SPECTROSCOPY; DENSITY; LOCALIZATION; ADSORPTION; INTERFACE; WATER; SE; GE; BR;

D O I：

10.1039/b909925e

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：

Density functional theory calculations of oxyanions exposed to external electric fields revealed systematic variations in molecular geometries and vibration stretching frequencies. These variations can be used in laboratory studies to determine coordination geometries of oxyanions adsorbed on solid surfaces using infrared spectroscopy.

引用

收藏

页码：8133 / 8135

页数：3

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