Oxidation of supported rhodium clusters by support hydroxy groups

被引：97

作者：

Vayssilov, GN

Gates, BC

Rösch, N

机构：

[1] Tech Univ Munich, Inst Phys & Theoret Chem, D-85747 Garching, Germany

[2] Univ Sofia, Fac Chem, BU-1126 Sofia, Bulgaria

[3] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2003年 / 42卷 / 12期

关键词：

density functional calculations; rhodium; supported catalysts; surface chemistry; zeolites;

D O I：

10.1002/anie.200390357

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The calculated structures of a supported RH6 cluster (depicted) demonstrate that protons of surface OH groups of the oxide support migrate onto the cluster. This migration results in the oxidation of metal atoms that are in close contact with the support. The energy released by this reverse hydrogen spillover is estimated to be 120 kj mol-1 per OH group.

引用

收藏

页码：1391 / 1394

页数：4

相关论文

共 30 条

[1] EXAFS characterization of supported metal-complex and metal-cluster catalysts made from organometallic precursors [J].

Alexeev, O ;

Gates, BC .

TOPICS IN CATALYSIS, 2000, 10 (3-4) :273-293

[2] Temperature-programmed desorption of hydrogen from platinum particles on γ-Al2O3:: Evidence of platinum-catalyzed dehydroxylation of γ-Al2O3 [J].

Alexeev, O ;

Kim, DW ;

Graham, GW ;

Shelef, M ;

Gates, BC .

JOURNAL OF CATALYSIS, 1999, 185 (01) :170-181

[3] RHODIUM CARBON-MONOXIDE SURFACE-CHEMISTRY - THE INVOLVEMENT OF SURFACE HYDROXYL-GROUPS ON AL2O3 AND SIO2 SUPPORTS [J].

BASU, P ;

PANAYOTOV, D ;

YATES, JT .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1988, 110 (07) :2074-2081

[4] DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].

BECKE, AD .

PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100

[5]

Belling T, 1999, LECT NOTES COMP SCI, V8, P441

[6]

BELLING T, 1999, PARAGAUSS VERSION 2

[7] MONONUCLEAR RHENIUM CARBONYLS ON MGO - CHARACTERIZATION OF THE METAL SUPPORT INTERFACE BY EXTENDED X-RAY ABSORPTION FINE-STRUCTURE SPECTROSCOPY [J].

CHANG, JR ;

GRON, LU ;

HONJI, A ;

SANCHEZ, KM ;

GATES, BC .

JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (24) :9944-9950

[8] SPILLOVER IN HETEROGENEOUS CATALYSIS [J].

CONNER, WC ;

FALCONER, JL .

CHEMICAL REVIEWS, 1995, 95 (03) :759-788

[9]

Dunlap B. I., 1990, ADV QUANTUM CHEM, V21, P317, DOI [10.1016/S0065-3276(08)60603-6, DOI 10.1016/S0065-3276(08)60603-6]

[10] Faujasite-supported Ir4 clusters:: A density functional model study of metal-zeolite interactions [J].

Ferrari, AM ;

Neyman, KM ;

Mayer, M ;

Staufer, M ;

Gates, BC ;

Rösch, N .

JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (25) :5311-5319