Density Functional Calculations on Protonation of the [FeFe]-Hydrogenase Model Complex Fe2(μ-pdt)(CO)4(PMe3)2 and Subsequent Isomerization Pathways

DFT characterization of the reaction pathways for terminal- to μ-hydride isomerisation in synthetic models of the [FeFe]-hydrogenase active site

(2010) Giuseppe Zampella et al.   CHEMICAL COMMUNICATIONS

Mechanistic aspects of the protonation of [FeFe]-hydrogenase subsite analogues

(2010) Aušra Jablonskytė et al.   DALTON TRANSACTIONS

Density Functional Study of the Thermodynamics of Hydrogen Production by Tetrairon Hexathiolate, Fe4[MeC(CH2S)3]2(CO)8, a Hydrogenase Model

(2010) Panida Surawatanawong et al.   INORGANIC CHEMISTRY

Investigation on the Protonation of a Trisubstituted [Fe2(CO)3(PPh3)(κ2-phen)(μ-pdt)] Complex: Rotated versus Unrotated Intermediate Pathways

(2010) Pierre-Yves Orain et al.   INORGANIC CHEMISTRY

Protonation of a subsite analogue of [FeFe]-hydrogenase: mechanism of a deceptively simple reaction revealed by time-resolved IR spectroscopy

(2009) Joseph A. Wright et al.   CHEMICAL COMMUNICATIONS

Structural and Functional Analogues of the Active Sites of the [Fe]-, [NiFe]-, and [FeFe]-Hydrogenases†

(2009) Cédric Tard et al.   CHEMICAL REVIEWS

Isomerization of the hydride complexes [HFe2(SR)2(PR3)x(CO)6−x]+(x = 2, 3, 4) relevant to the active site models for the [FeFe]-hydrogenases

(2009) Bryan E. Barton et al.   DALTON TRANSACTIONS

Modeling [FeFe] hydrogenase: Synthesis and protonation of a diiron dithiolate complex containing a phosphine-N-heterocyclic-carbene ligand

(2009) Didier Morvan et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Activation of the S−H Group in Fe(μ2-SH)Fe Clusters: S−H Bond Strengths and Free Radical Reactivity of the Fe(μ2-SH)Fe Cluster

(2009) James A. Franz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Unveiling How Stereoelectronic Factors Affect Kinetics and Thermodynamics of Protonation Regiochemistry in [FeFe] Hydrogenase Synthetic Models: A DFT Investigation

(2009) Giuseppe Zampella et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Monoiron Hydrogenase Catalysis: Hydrogen Activation with the Formation of a Dihydrogen, Fe−Hδ−···Hδ+−O, Bond and Methenyl-H4MPT+Triggered Hydride Transfer

(2009) Xinzheng Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Diiron chelate complexes relevant to the active site of the iron-only hydrogenase

(2008) Salah Ezzaher et al.   COMPTES RENDUS CHIMIE

Electrocatalysis of hydrogen evolution by synthetic diiron units using weak acids as the proton source: Pathways of doubtful relevance to enzymic catalysis by the diiron subsite of [FeFe] hydrogenase

(2008) Stacey J. Borg et al.   COMPTES RENDUS CHIMIE

Organometallic Diiron Complex Chemistry Related to the [2Fe]HSubsite of [FeFe]H2ase

(2008) Jean-François Capon et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Series of Mixed Valent Fe(II)Fe(I) Complexes That Model the HoxState of [FeFe]Hydrogenase: Redox Properties, Density-Functional Theory Investigation, and Reactivities with Extrinsic CO

(2008) Christine M. Thomas et al.   INORGANIC CHEMISTRY

Terminal Hydride in [FeFe]-Hydrogenase Model Has Lower Potential for H2Production Than the Isomeric Bridging Hydride

(2008) Bryan E. Barton et al.   INORGANIC CHEMISTRY

Structure and Vibrational Dynamics of Model Compounds of the [FeFe]−Hydrogenase Enzyme System via Ultrafast Two-Dimensional Infrared Spectroscopy

(2008) A. I. Stewart et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Diiron Dithiolato Carbonyls Related to the HoxCOState of [FeFe]-Hydrogenase

(2008) Aaron K. Justice et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site

(2008) Matthew T. Olsen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aza- and Oxadithiolates Are Probable Proton Relays in Functional Models for the [FeFe]-Hydrogenases

(2008) Bryan E. Barton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electrochemical Insights into the Mechanisms of Proton Reduction by [Fe2(CO)6{μ-SCH2N(R)CH2S}] Complexes Related to the [2Fe]H Subsite of [FeFe]Hydrogenase

(2007) Jean-François Capon et al.   CHEMISTRY-A EUROPEAN JOURNAL