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Low-Valent Iron Mono-Diazadiene Compounds: Electronic Structure and Catalytic Application

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https://figshare.com/articles/dataset/Low_Valent_Iron_Mono_Diazadiene_Compounds_Electronic_Structure_and_Catalytic_Application/2125975
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A series of monodiazadiene diolefin iron compounds, [Fe­(trop2dad)­(L)] (4; L = neutral ligand), has been prepared by one-electron oxidation of the FeI species [NaFe­(trop2dad)­(thf)3] (dad = diazadiene; trop = 5H-dibenzo­[a,d]­cyclohepten-5-yl). The electronic structures of compounds 4 were investigated by NMR and Mössbauer spectroscopy, single-crystal X-ray diffraction, solid- and liquid-phase magnetic susceptibility measurements, and DFT calculations. Compounds of type 4 with labile ligands L were found to be active (pre)­catalysts for the dehydrogenative coupling of (alkyl)­amine–boranes. Remarkably high activities were observed, especially for the homogeneous dehydrogenative polymerization of methylamine–borane.
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2016-02-12
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