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Issue 7, 2011
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A nickelmanganese catalyst as a biomimic of the active site of NiFe hydrogenases: a combined electrocatalytical and DFT mechanistic study

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Abstract

The dinuclear nickelmanganese complex [Ni(xbsms)Mn(CO)3(H2O)]+ (H2xbsms = 1,2-bis(4-mercapto-3,3-dimethyl-2-thiabutyl)benzene) is reported as a bio-inspired mimic of the active site of NiFe hydrogenases catalyzing hydrogen evolution from trifluoroacetic acid in DMF with an overpotential requirement of 860 mV. This is higher than that displayed by Ni–Ru systems [Canaguier et al., Chem.–Eur. J., 2009, 15, 9350–9364] but similar to that found for related noble metal free Ni–Fe mimics [Canaguier et al., Chem. Commun. 2010, 46, 5876–5878]. A combined electrochemical and theoretical (DFT) study suggests a heterolytic mechanism for hydrogen evolution from a hydride derivative. The structure of the active intermediate, with a bridging hydride ligand between Ni and Mn, resembles that of the Ni–C active state of NiFe hydrogenases.

Graphical abstract: A nickel–manganese catalyst as a biomimic of the active site of NiFe hydrogenases: a combined electrocatalytical and DFT mechanistic study

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Publication details

The article was received on 02 Dec 2010, accepted on 11 Jan 2011 and first published on 14 Feb 2011


Article type: Paper
DOI: 10.1039/C0EE00736F
Citation: Energy Environ. Sci., 2011,4, 2417-2427
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    A nickelmanganese catalyst as a biomimic of the active site of NiFe hydrogenases: a combined electrocatalytical and DFT mechanistic study

    V. Fourmond, S. Canaguier, B. Golly, M. J. Field, M. Fontecave and V. Artero, Energy Environ. Sci., 2011, 4, 2417
    DOI: 10.1039/C0EE00736F

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