On the electronic structure of the hydrogenase H-cluster

被引：43

作者：

Schwab, David E.

Tard, Cedric

Brecht, Eric

Peters, John W.

Pickett, Christopher J.

Szilagyi, Robert K. ^{[1
]}

机构：

[1] Montana State Univ, Dept Chem & Biochem, Bozeman, MT 59718 USA

[2] John Innes Res Ctr, Dept Biol Chem, Norwich NR4 7TJ, Norfolk, England

[3] Univ E Anglia, Sch Chem Sci & Pharm, Norwich NR4 7TJ, Norfolk, England

来源：

CHEMICAL COMMUNICATIONS | 2006年 / 35期

关键词：

D O I：

10.1039/b604994j

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

X-ray absorption spectroscopic measurements and density functional calculations suggest that the hydrogenase H-cluster is best described as an electronically inseparable 6Fe-cluster due to extensive delocalization of frontier molecular orbitals of the iron centres, sulfide and the non-innocent dithiolate ligands.

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收藏

页码：3696 / 3698

页数：3

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