Issue 35, 2006
From the journal:

Chemical Communications

On the electronic structure of the hydrogenase H-cluster†‡

David E. Schwab,a   Cedric Tard,b   Eric Brecht,a   John W. Peters,a   Christopher J. Pickettbc  and  Robert K. Szilagyi*a  

* Corresponding authors

a Department of Chemistry and Biochemistry, Montana State University, Bozeman, MT59718, USA
E-mail: Szilagyi@Montana.EDU

b Department of Chemical Biology, John Innes Research Centre, Norwich, UK

c School of Chemical Sciences and Pharmacy, University of East Anglia, Norwich, UK

Abstract

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.

Graphical abstract: On the electronic structure of the hydrogenase H-cluster

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Article information

DOI
https://doi.org/10.1039/B604994J
Article type
Communication
Submitted
07 Apr 2006
Accepted
28 Jun 2006
First published
31 Jul 2006

Chem. Commun., 2006, 3696-3698

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On the electronic structure of the hydrogenase H-cluster

D. E. Schwab, C. Tard, E. Brecht, J. W. Peters, C. J. Pickett and R. K. Szilagyi, Chem. Commun., 2006, 3696 DOI: 10.1039/B604994J

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