Modeling [Fe-Fe] hydrogenase: Evidence for bridging carbonyl and distal iron coordination vacancy in an electrocatalytically competent proton reduction by an iron thiolate assembly that operates through Fe(0)-Fe(II) levels

Journal of the American Chemical Society

Volumn 129, Issue 36, 2007, Pages 11085-11092

  Mun, Hon Cheah ^a   Tard, Cédric ^b   Borg, Stacey J ^a   Liu, Xiaoming ^b   Ibrahim, Saad K ^b   Pickett, Christopher J ^b   Best, Stephen P ^a  

^a UNIVERSITY OF MELBOURNE   (Australia)

^b UNIVERSITY OF EAST ANGLIA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTROCATALYSIS; IRON; MATHEMATICAL MODELS; PROTONS;

GEOMETRY OPTIMIZATION; PROTON REDUCTION;

ENZYMES;

ANION; CARBON; CARBONYL DERIVATIVE; HYDROGENASE; IRON; OXYGEN; PROTON; THIOL DERIVATIVE;

ARTICLE; CATALYSIS; CHEMICAL REACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; GEOMETRY; INFRARED SPECTROSCOPY; PROTON TRANSPORT;

BINDING SITES; CATALYSIS; ELECTROCHEMISTRY; HYDROGENASE; IRON; IRON-SULFUR PROTEINS; MODELS, MOLECULAR; PROTEIN CONFORMATION;

EID: 34548795961     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja071331f     Document Type: Article

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