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New Systematic Route to Mixed-Valence Triiron Clusters Derived from Dinuclear Models of the Active Site of [Fe–Fe]-Hydrogenases

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NIAID Data Ecosystem2026-03-09 收录
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https://figshare.com/articles/dataset/New_Systematic_Route_to_Mixed_Valence_Triiron_Clusters_Derived_from_Dinuclear_Models_of_the_Active_Site_of_Fe_Fe_Hydrogenases/2232694
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A novel reaction pathway to synthesize the linear trinuclear clusters [Fe3(CO)5(κ2-diphosphine)­(μ-dithiolate)2] via the direct reaction of the dinuclear hexacarbonyl precursor [Fe2(CO)6(μ-dithiolate)] with the mononuclear species [Fe­(CO)2(κ2-diphosphine)­(κ2-dithiolate)] has been developed with diphosphine (dppe) and dithiolate (pdt = propanedithiolate) (1) or adtBn ({SCH2}2NBn = azadithiolate) (2). A crystallographic study was carried out on 2 and Mössbauer spectroscopy, and DFT calculations have been used to describe the electronic and structural properties of 1. The electrochemical properties of 1 in the absence and in the presence of a weak acid have been the subject of a preliminary investigation.
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2016-02-16
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