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XAFS and DFT characterisation of protonated reduced fe hydrogenase analogues and their implications for electrocatalytic proton reduction

Cheah, Michael; Best, Stephen Peter


The relationship between the structures of reduced, protonated diiron compounds relevant to the diiron subsite of the Fe-hydrogenase H cluster, [2Fe]H, and the rate of electrocatalytic proton reduction is explored by a combination of experimental and computational approaches. Analysis of the X-ray absorption fine structure (XAFS) of the two-electron, twoproton product of [Fe(CO)3]2(μ-PPh2)2 (DP) shows distortions of the primary coordination environment of the Fe centre that result from the...[Show more]

CollectionsANU Research Publications
Date published: 2011
Type: Journal article
Source: European Journal of Inorganic Chemistry
DOI: 10.1002/ejic.201001099


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