Literature DB >> 19374433

Coordination chemistry of [HFe(CN)(2)(CO)(3)](-) and its derivatives: toward a model for the iron subsite of the [NiFe]-hydrogenases.

C Matthew Whaley1, Thomas B Rauchfuss, Scott R Wilson.   

Abstract

The photoreaction of n class="Chemical">pan class="Chemical">Fe(CO)(5) and pn>an class="Chemical">cyanide salts in MeCN solution affords the dianion [Fe(CN)(2)(CO)(3)](2-), conveniently isolated as [K(18-crown-6)](2)[Fe(CN)(2)(CO)(3)]. Solutions of [Fe(CN)(2)(CO)(3)](2-) oxidize irreversibly at -600 mV (vs Ag/AgCl) to give primarily [Fe(CN)(3)(CO)(3)](-). Protonation of the dianion affords the hydride [K(18-crown-6)][HFe(CN)(2)(CO)(3)] with a pK(a) approximately 17 (MeCN). The ferrous hydride exhibits enhanced electrophilicity vs its dianionic precursor, which resists substitution. Treatment of [K(18-crown-6)][Fe(CN)(2)(CO)(3)] with tertiary phosphines and phosphites gives isomeric mixtures of [HFe(CN)(2)(CO)(2)L](-) (L = P(OPh)(3) and PPh(3)). Carbonyl substitution on [1H(CO)(2)](-) by P(OPh)(3) is first-order in both the phosphite and iron (k = 0.18 M(-1) s(-1) at 22 degrees C) with DeltaH(double dagger) = 51.6 kJ mol(-1) and DeltaS(double dagger) = -83.0 J K(-1) mol(-1). These ligands are displaced under an atmosphere of CO. With cis-Ph(2)PCH=CHPPh(2) (dppv), we obtained the monocarbonyl, [HFe(CN)(2)(CO)(dppv)](-), a highly basic hydride (pK(a) > 23.3) that rearranges in solution to a single isomer. Treatment of [K(18-crown-6)][HFe(CN)(2)(CO)(3)] with Et(4)NCN resulted in rapid deprotonation to give [Fe(CN)(2)(CO)(3)](2-) and HCN. The tricyano hydride [HFe(CN)(3)(CO)(2)](2-) is prepared by the reaction of [HFe(CN)(2)(CO)(2)(PPh(3))](-) and [K(18-crown-6)]CN. Similar to the phosphine and phosphite derivatives, [HFe(CN)(3)(CO)(2)](2-) exists as a mixture of all three possible isomers. Protonation of the hydrides [HFe(CN)(2)(CO)(dppv)](-) and [HFe(CN)(3)(CO)(2)](-) in acetonitrile solutions releases H(2) and gives the corresponding acetonitrile complexes [K(18-crown-6)][Fe(CN)(3)(NCMe)(CO)(2)] and Fe(CN)(2)(NCMe)(CO)(dppv). Alkylation of [K(18-crown-6)](2)[Fe(CN)(2)(CO)(3)] with MeOTf gives the thermally unstable [MeFe(CN)(2)(CO)(3)](-), which was characterized spectroscopically at -40 degrees C. Reaction of dppv with [MeFe(CN)(2)(CO)(3)](-) gives the acetyl complex, [Fe(CN)(2)(COMe)(CO)(dppv)](-). Whereas [Fe(CN)(2)(CO)(3)](2-) undergoes protonation and methylation at Fe, acid chlorides give the iron(0) N-acylisocyanides [Fe(CN)(CO)(3)(CNCOR)](-) (R = Ph, CH(3)). The solid state structures of [K(18-crown-6)][HFe(CN)(2)(CO)(dppv)], Fe(CN)(2)(NCMe)(CO)(dppv), and [K(18-crown-6)](2)[HFe(CN)(3)(CO)(2)] were confirmed crystallographically. In all three cases, the cyanide ligands are cis to the hydride or acetonitrile ligands.

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Year:  2009        PMID: 19374433      PMCID: PMC2732431          DOI: 10.1021/ic900200s

Source DB:  PubMed          Journal:  Inorg Chem        ISSN: 0020-1669            Impact factor:   5.165


  20 in total

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5.  Preparative and structural studies on the carbonyl cyanides of iron, manganese, and ruthenium: fundamentals relevant to the hydrogenases.

Authors:  Stephen M Contakes; Sodio C N Hsu; Thomas B Rauchfuss; Scott R Wilson
Journal:  Inorg Chem       Date:  2002-03-25       Impact factor: 5.165

6.  Hydrogen production under aerobic conditions by membrane-bound hydrogenases from Ralstonia species.

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7.  Preparative and structural studies on iron(II)-thiolate cyanocarbonyls: relevance to the [NiFe]/[Fe]-hydrogenases.

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8.  A dinuclear Ni(mu-H)Ru complex derived from H2.

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9.  Protonation studies of the new iron carbonyl cyanide trans-[Fe(CO)3(CN)2]2-: implications with respect to hydrogenases.

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Review 2.  Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides.

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3.  The iron-site structure of [Fe]-hydrogenase and model systems: an X-ray absorption near edge spectroscopy study.

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4.  Synthesis and Dynamics of Ferrous Polychalcogenides [Fe(Ex)(CN)2(CO)2]2- (E = S, Se, or Te).

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