• Modeling the active site of [FeFe]-hydrogenase: Electro-catalytic hydrogen evolution from acetic acid catalysed by [Fe2(𝜇-L)(CO)6] and [Fe2(𝜇-L)(CO)5(PPh3)] (L=pyrazine-2, 3-dithiolate, quinoxaline-2, 3-dithiolate and pyrido[2,3-b] pyrazine-2, 3-dithiolate)

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      https://www.ias.ac.in/article/fulltext/jcsc/127/02/0295-0305

    • Keywords

       

      Modeling the active site; [FeFe]-hydrogenase; spectroscopy; electrocatalytic hydrogen evaluation.

    • Abstract

       

      Compounds [Fe2{𝜇-pydt}(CO)6] (pydt = pyrazine-2,3-dithiolate) (1), [Fe2{𝜇-qdt}(CO)6] (qdt = quinoxaline-2,3-dithiolate) (2), [Fe2{𝜇-ppdt}CO)6] (ppdt = pyrido[2,3-b]pyrazine-2,3-dithiolate) (3), [Fe2{𝜇-pydt}(CO)5PPh3] (4), [Fe2{𝜇-qdt}(CO)5PPh3] (5) and [Fe2{𝜇-ppdt}(CO)5PPh3] (6) have been synthesized in order to model the active sites of `[FeFe]-hydrogenase’. Compounds 1–6 have been characterized by routine spectral studies and unambiguously by single crystal X-ray crystallography. Supramolecular chemistry of compounds 1–6 have been described in terms of intermolecular interactions, observed in their respective crystal structures. Electro-catalytic hydrogen evaluation studies (from acetic acid) have been performed using compounds 1–6 as electro-catalysts. The mechanistic aspects of relevant electro–catalytic proton reductions have been discussed in detail.

    • Author Affiliations

       

      Gummadi Durgaprasad1 Samar K Das1

      1. School of Chemistry, University of Hyderabad, Hyderabad 500 046, India
    • Dates

       
  • Journal of Chemical Sciences | News

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