Generation of Oxygen Radical Centers in Binary Neutral Metal Oxide Clusters for Catalytic Oxidation Reactions

被引：62

作者：

Noessler, Melanie ^{[1
]}

Mitric, Roland ^{[2
]}

Bonacic-Koutecky, Vlasta ^{[1
]}

Johnson, Grant E. ^{[3
,4
]}

Tyo, Eric C. ^{[3
,4
]}

Castleman, A. Welford, Jr. ^{[3
,4
]}

机构：

[1] Humboldt Univ, Inst Chem, D-12489 Berlin, Germany

[2] Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany

[3] Penn State Univ, Dept Chem, University Pk, PA 16802 USA

[4] Penn State Univ, Dept Phys, University Pk, PA 16802 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 02期

关键词：

cluster compounds; density functional calculations; heterogeneous catalysis; isoelectronic analogues; radicals; AB-INITIO PSEUDOPOTENTIALS; GAS-PHASE OXIDATION; VANADIUM-OXIDE; ACTIVATION; ETHYLENE; DENSITY; METHANE; EXCHANGE; ELEMENTS; CATIONS;

D O I：

10.1002/anie.200905434

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

One more, one less: Radical centers are generated in binary neutral zirconium oxide clusters by replacing one Zr atom in single-metal cationic and anionic clusters with radical oxygen centers by an atom that has one less (Sc) or one more electron (Nb). This study reveals that these isoelectronic systems promote similar oxidation reactions and can undergo full catalytic cycles (see picture: Zr yellow, Sc gray, O red. C green, H teal, N blue). © 2010 Wiley-VCH Verlag GmbH &. Co. KGaA.

引用

页码：407 / 410

页数：4

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