Ethylene epoxidation on Ag: Identification of the crucial surface intermediate by experimental and theoretical investigation of its electronic structure

被引：87

作者：

Linic, S

Piao, H

Adib, K

Barteau, MA ^{[1
]}

机构：

[1] Univ Delaware, Dept Chem Engn, CCST, Newark, DE 19716 USA

[2] Brookhaven Natl Lab, Upton, NY 11973 USA

[3] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany

[4] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2004年 / 43卷 / 22期

关键词：

density functional calculations; ethylene oxide; heterogeneous catalysis; silver; X-ray photoelectron spectroscopy;

D O I：

10.1002/anie.200353584

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Intermediate success: A combination of high-resolution X-ray photoelectron spectroscopy and density functional theory allows the electronic structures of adsorbates to be probed to an unprecedented level of detail. By using these techniques, the adsorption of ethylene oxide onto an Ag(III) surface has been shown to result in the formation of an unsymmetrical surface oxametallacycle structure (see picture).

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页码：2918 / 2921

页数：4

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