Selective Propene Epoxidation on Immobilized Au6-10 Clusters: The Effect of Hydrogen and Water on Activity and Selectivity

被引：233

作者：

Lee, Sungsik ^{[2
]}

Molina, Luis M. ^{[1
]}

Lopez, Maria J. ^{[1
]}

Alonso, Julio A. ^{[1
]}

Hammer, Bjork ^{[3
,4
]}

Lee, Byeongdu ^{[5
]}

Seifert, Soenke ^{[5
]}

Winans, Randall E. ^{[5
]}

Elam, Jeffrey W. ^{[6
]}

Pellin, Michael J. ^{[7
]}

Vajda, Stefan ^{[2
,8
,9
]}

机构：

[1] Univ Valladolid, Dept Fis Teor Atom & Opt, E-47011 Valladolid, Spain

[2] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA

[3] Univ Aarhus, iNano, DK-8000 Aarhus C, Denmark

[4] Univ Aarhus, Dept Phys & Astron, DK-8000 Aarhus C, Denmark

[5] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA

[6] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA

[7] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA

[8] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA

[9] Yale Univ, Sch Engn & Appl Sci, Dept Chem Engn, New Haven, CT 06520 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2009年 / 48卷 / 08期

关键词：

cluster compounds; density functional calculations; epoxidation; gold; propene; IN-SITU GISAXS; CO OXIDATION; GOLD CATALYSTS; STABILITY; SURFACE; OXYGEN; OXIDE; NANOCLUSTERS; ADSORPTION; DEPOSITION;

D O I：

10.1002/anie.200804154

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Epoxidation made easy: Subnanometer gold clusters immobilized on amorphous alumina result in a highly active and selective catalyst for propene epoxidation. The highest selectivity is found for gas mixtures involving oxygen and water, thus avoiding the use of hydrogen. Ab initio DFT calculations are used to identify key reaction intermediates and reaction pathways. The results confirms the high catalyst activity owing to the formation of propene oxide metallacycles. Al Green, Au yellow, O red, and C gray. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：1467 / 1471

页数：5

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