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• W2005381029 startingPage "13688" @default.
• W2005381029 abstract "A [FeFe]-hydrogenase model (1) containing a chelating diphosphine ligand with a pendant amine was readily oxidized by Fc+ (Fc = Cp2Fe) to a FeIIFeI complex ([1]+), which was isolated at room temperature. The structure of [1]+ with a semibridging CO and a vacant apical site was determined by X-ray crystallography. Complex [1]+ catalytically activates H2 at 1 atm at 25 °C in the presence of excess Fc+ and P(o-tol)3. More interestingly, the catalytic activity of [1]+ for H2 oxidation remains unchanged in the presence of ca. 2% CO. A computational study of the reaction mechanism showed that the most favorable activation free energy involves a rotation of the bridging CO to an apical position followed by activation of H2 with the help of the internal amine to give a bridging hydride intermediate." @default.
• W2005381029 created "2016-06-24" @default.
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• W2005381029 date "2013-09-06" @default.
• W2005381029 modified "2023-10-09" @default.
• W2005381029 title "Catalytic Activation of H₂ under Mild Conditions by an [FeFe]-Hydrogenase Model via an Active μ-Hydride Species" @default.
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• W2005381029 doi "https://doi.org/10.1021/ja408376t" @default.
• W2005381029 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24001095" @default.
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