Adsorption of complex silver cyanides on Ag(111). Quantum chemical consideration
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- 作者：N. A. Rogozhnikov
- 关键词：quantum chemistry ; surface ; adsorption ; silver ; complex ; cyanide ion
- 刊名：Russian Journal of Electrochemistry
- 出版年：2016
- 出版时间：January 2016
- 年：2016
- 卷：52
- 期：1
- 页码：63-70
- 全文大小：650 KB
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1. Institute of Solid State Chemistry and Mechanochemistry, Siberian Branch, Russian Academy of Sciences, ul. Kutateladze 18, Novosibirsk, 630128, Russia - 刊物类别：Chemistry and Materials Science
- 刊物主题：Chemistry
Electrochemistry
Physical Chemistry
Russian Library of Science - 出版者：MAIK Nauka/Interperiodica distributed exclusively by Springer Science+Business Media LLC.
- ISSN：1608-3342
文摘
The interaction of AgCN molecules and Ag(CN) 2 − , Ag(CN) 3 2− , Ag(CN) 4 3− ions with the silver surface is studied based on the cluster model of the metal surface by quantum chemistry methods. The geometrical and energy parameters of the interaction of these species with the metal surface are assessed. As regards the strength of their chemical bond with the surface, these compounds form the following series: Ag(CN) 2 − < Ag(CN) 3 2− < AgCN < Ag(CN) 4 3− . The surface activity of silver-containing species is compared with regard to the solvent effect. It is found that Ag(CN) 2 − and Ag(CN) 3 2− anions exhibit close adsorbabilities on silver. Molecules AgCN are not accumulated on the surface because of their very low content in solution. The adsorption of Ag(CN) 4 3− is hindered due to a considerable value of degradation energy of this three-charged ion. In the adsorbed state, the ions Ag(CN) 2 − and Ag(CN) 3 2− represent stable compounds displaying no surface dissociation to yield compounds with the smaller coordination numbers. Keywords quantum chemistry surface adsorption silver complex cyanide ion