Role of mixed-valence state in vanadium phosphates catalysts

被引：15

作者：

Robert, V

Borshch, SA

Bigot, B

机构：

[1] INST RECH CATALYSE, CNRS, UPR 5410, CNRS, F-69626 VILLEURBANNE, FRANCE

[2] ECOLE NORMALE SUPER LYON, CHIM THEOR LAB, F-69364 LYON 07, FRANCE

来源：

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL | 1997年 / 119卷 / 1-3期

关键词：

vanadyl pyrophosphate; mixed-valence; electronic structure;

D O I：

10.1016/S1381-1169(96)00495-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An analysis of the electronic structure of the vanadyl pyrophosphate surface is given when vanadium atoms in different valence states are simultaneously present. A tetrameric vanadium-oxygen cluster is proposed to model the catalytic active site. Possible path for the interaction of 2,5-dihydrofuran with a lattice vanadyl oxygen leading to the formation of maleic anhydride is considered. It is shown that account of structural relaxation in mixed-valence state is needed to properly describe active site.

引用

页码：327 / 333

页数：7

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ABON M, IN PRESS CATAL TODAY

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