The three-dimensional structure of the titanium-centered active site during steady-state catalytic epoxidation of alkenes

被引：77

作者：

Sankar, G

Thomas, JM

Catlow, CRA

Barker, CM

Gleeson, D

Kaltsoyannis, N

机构：

[1] UCL Royal Inst Great Britain, Davy Faraday Res Lab, London W1S 4BS, England

[2] Univ Cambridge, Dept Mat Sci & Met, Cambridge CB2 3QZ, England

[3] UCL, Dept Chem, London WC1H 0AJ, England

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2001年 / 105卷 / 38期

关键词：

D O I：

10.1021/jp011979t

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：

Combined in situ X-ray absorption fine structure (XAFS) measurements and density functional theory (DFT) computations yield a quantitative three-dimensional picture of the six-coordinated Ti(IV)-centered active site (in Ti/SiO(2) catalysts) during production of epoxides from alkenes in the presence of hydroperoxide as oxidants.

引用

收藏

页码：9028 / 9030

页数：3

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