Bis[1,2-bis(dimethylphosphino)ethane]dihydrogenhydridoiron(II) tetraphenylborate as a model for the function of nitrogenases

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Abstract
The trihydride complex [FeH3(dmpe)2]+(dmpe = Me2PCH2CH2PMe2) is best represented as [FeH(H2)(dmpe)2]+, with the H–H separation in the H2 being ca. 0.81 Å. The H2 can be replaced by N2, CO, MeCN, MeNC and C2H4. The dinitrogen complex [FeH(N2)(dmpe)2]+ may be deprotonated to yield the solutionstable, trigonal-bipyramidal species [Fe(N2)(dmpe)2], which can be reprotonated by HCl to yield [FeCl2(dmpe)2], N2, H2 and NH3. The crystal structures of [FeH(H2)(dmpe)2]BPh4 and [FeH(N2)(dmpe)2]BPh4 have been determined.