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Functional Hydride Transfer by a Thiolate‐Containing Model of Mono‐Iron Hydrogenase featuring an Anthracene Scaffold
Authors:Spencer A Kerns  Anne‐Clarisse Magtaan  Pisey R Vong  Michael J Rose
Institution:Department of Chemistry, The University of Texas at Austin, Austin, TX, USA
Abstract:We report the synthesis, X‐ray structure and functional biomimetic activity of a model complex of mono‐iron hydrogenase (Hmd). To achieve the desired biomimetic fac‐CNS(thiolate) ligation motif, an anthracene framework is used to provide the requisite donors in a single chelate. A bulky aryl thiolate (ortho dimethylphenyl) is included to achieve mononuclearity. In addition to exhibiting structural (X‐ray) and spectroscopic (NMR, IR) similarity to the enzyme, the complex is competent for H2 activation (heterolysis) and hydride transfer to a model substrate—mimicking the functional behavior of the enzyme in a biomimetic CNS coordination sphere for the first time.
Keywords:biomimetic  hydride transfer  hydrogen activation  mono-iron hydrogenase  scaffold chelate
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