Dual electron uptake by simultaneous iron and ligand reduction in an N-heterocyclic carbene substituted [FeFe] hydrogenase model compound

被引：139

作者：

Tye, JW ^{[1
]}

Lee, J ^{[1
]}

Wang, HW ^{[1
]}

Mejia-Rodriguez, R ^{[1
]}

Reibenspies, JH ^{[1
]}

Hall, MB ^{[1
]}

Darensbourg, MY ^{[1
]}

机构：

[1] Texas A&M Univ, Dept Chem, College Stn, TX 77843 USA

来源：

INORGANIC CHEMISTRY | 2005年 / 44卷 / 16期

关键词：

D O I：

10.1021/ic050402d

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

An N-heterocyclic carbene containing [FeFe]H(2)ase model complex, whose X-ray structure displays an apical carbene, shows an unexpected two-electron reduction to be involved in its electro-catalytic dihydrogen production. Density functional calculations show, in addition to a one-electron Fe-Fe reduction, that the aryl-substituted N-heterocyclic carbene can accept a second electron more readily than the Fe-Fe manifold. The juxtaposition of these two one-electron reductions resembles the [FeFe]H(2)ase active site with an FeFe di-iron unit joined to the electroactive 4Fe4S cluster.

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页码：5550 / 5552

页数：3

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