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Title: Biomimetic model for [FeFe]-hydrogenase: asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand

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Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Bio-Inspired Solar Fuel Production (BISfuel)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
DOE Contract Number:  
Resource Type:
Journal Article
Journal Name:
Dalton Transactions
Additional Journal Information:
Journal Volume: 42; Journal Issue: 11; Related Information: BISfuel partners with Arizona State University.; Journal ID: ISSN 1477-9226
Royal Society of Chemistry
Country of Publication:
United States
catalysis (homogeneous), catalysis (heterogeneous), solar (fuels), photosynthesis (natural and artificial), bio-inspired, hydrogen and fuel cells, electrodes - solar, charge transport, materials and chemistry by design, synthesis (novel materials), synthesis (self-assembly)

Citation Formats

Roy, Souvik, Groy, Thomas L., and Jones, Anne K. Biomimetic model for [FeFe]-hydrogenase: asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand. United States: N. p., 2012. Web. doi:10.1039/C2DT32457A.
Roy, Souvik, Groy, Thomas L., & Jones, Anne K. Biomimetic model for [FeFe]-hydrogenase: asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand. United States. doi:10.1039/C2DT32457A.
Roy, Souvik, Groy, Thomas L., and Jones, Anne K. Fri . "Biomimetic model for [FeFe]-hydrogenase: asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand". United States. doi:10.1039/C2DT32457A.
title = {Biomimetic model for [FeFe]-hydrogenase: asymmetrically disubstituted diiron complex with a redox-active 2,2'-bipyridyl ligand},
author = {Roy, Souvik and Groy, Thomas L. and Jones, Anne K.},
abstractNote = {},
doi = {10.1039/C2DT32457A},
journal = {Dalton Transactions},
issn = {1477-9226},
number = 11,
volume = 42,
place = {United States},
year = {2012},
month = {12}

Works referenced in this record:

Hydrogen Generation from Weak Acids:  Electrochemical and Computational Studies of a Diiron Hydrogenase Mimic
journal, October 2007

  • Felton, Greg A. N.; Vannucci, Aaron K.; Chen, Jinzhu
  • Journal of the American Chemical Society, Vol. 129, Issue 41
  • DOI: 10.1021/ja073886g

The organometallic active site of [Fe]hydrogenase: Models and entatic states
journal, March 2003

  • Darensbourg, M. Y.; Lyon, E. J.; Zhao, X.
  • Proceedings of the National Academy of Sciences, Vol. 100, Issue 7
  • DOI: 10.1073/pnas.0536955100

Spectroscopically characterized intermediates of catalytic H2 formation by [FeFe] hydrogenase models
journal, January 2011

  • Tschierlei, Stefanie; Ott, Sascha; Lomoth, Reiner
  • Energy & Environmental Science, Vol. 4, Issue 7
  • DOI: 10.1039/c0ee00708k

Use of 1,10-phenanthroline in diiron dithiolate derivatives related to the [Fe–Fe] hydrogenase active site
journal, January 2007

  • Orain, Pierre-Yves; Capon, Jean-François; Kervarec, Nelly
  • Dalton Transactions, Issue 34
  • DOI: 10.1039/b709287c

Catalysis of the electrochemical H evolution by di-iron sub-site models
journal, August 2005

  • Capon, J.; Gloaguen, F.; Schollhammer, P.
  • Coordination Chemistry Reviews, Vol. 249, Issue 15-16
  • DOI: 10.1016/j.ccr.2004.11.018

Ligand Design for Electrochemically Controlling Stoichiometric and Catalytic Reactivity of Transition Metals
journal, April 1998

N-Heterocyclic Carbene Ligands in Nonsymmetric Diiron Models of Hydrogenase Active Sites
journal, April 2007

  • Morvan, Didier; Capon, Jean-François; Gloaguen, Frédéric
  • Organometallics, Vol. 26, Issue 8
  • DOI: 10.1021/om061173l

Electrocatalysis of hydrogen production by active site analogues of the iron hydrogenase enzyme: structure/function relationships
journal, January 2003

  • Chong, Daesung; Georgakaki, Irene P.; Mejia-Rodriguez, Rosario
  • Dalton Trans., Issue 21
  • DOI: 10.1039/B304283A

Hydrogenase sophistication
journal, January 1999

  • Cammack, Richard
  • Nature, Vol. 397, Issue 6716
  • DOI: 10.1038/16601

Unsaturated, Mixed-Valence Diiron Dithiolate Model for the Hox State of the [FeFe] Hydrogenase
journal, August 2007

  • Justice, Aaron K.; Rauchfuss, Thomas B.; Wilson, Scott R.
  • Angewandte Chemie International Edition, Vol. 46, Issue 32
  • DOI: 10.1002/anie.200702224

Synthesis of the H-cluster framework of iron-only hydrogenase
journal, February 2005

  • Tard, Cédric; Liu, Xiaoming; Ibrahim, Saad K.
  • Nature, Vol. 433, Issue 7026
  • DOI: 10.1038/nature03298

Electrogenerated chemiluminescence. XIII. Electrochemical and electrogenerated chemiluminescence studies of ruthenium chelates
journal, October 1973

  • Tokel-Takvoryan, Nurhan E.; Hemingway, Ronald E.; Bard, Allen J.
  • Journal of the American Chemical Society, Vol. 95, Issue 20
  • DOI: 10.1021/ja00801a011

Iron-Only Hydrogenase Mimics. Thermodynamic Aspects of the Use of Electrochemistry to Evaluate Catalytic Efficiency for Hydrogen Generation
journal, November 2006

  • Felton, Greg A. N.; Glass, Richard S.; Lichtenberger, Dennis L.
  • Inorganic Chemistry, Vol. 45, Issue 23
  • DOI: 10.1021/ic060984e

BIOCHEMISTRY:Biological Hydrogen Production: Not So Elementary
journal, December 1998

Evidence for the Formation of Terminal Hydrides by Protonation of an Asymmetric Iron Hydrogenase Active Site Mimic
journal, April 2007

  • Ezzaher, Salah; Capon, Jean-François; Gloaguen, Frédéric
  • Inorganic Chemistry, Vol. 46, Issue 9
  • DOI: 10.1021/ic0703124

Dual Electron Uptake by Simultaneous Iron and Ligand Reduction in an N-Heterocyclic Carbene Substituted [FeFe] Hydrogenase Model Compound
journal, August 2005

  • Tye, Jesse W.; Lee, Jonghyuk; Wang, Hsiao-Wan
  • Inorganic Chemistry, Vol. 44, Issue 16
  • DOI: 10.1021/ic050402d

Electrochemical and theoretical investigations of the reduction of [Fe2(CO)5L{µ-SCH2XCH2S}] complexes related to [FeFe] hydrogenase
journal, January 2007

  • Capon, Jean-François; Ezzaher, Salah; Gloaguen, Frédéric
  • New Journal of Chemistry, Vol. 31, Issue 12
  • DOI: 10.1039/b709273c

De Novo Design of Synthetic Di-Iron(I) Complexes as Structural Models of the Reduced Form of Iron−Iron Hydrogenase
journal, February 2006

  • Tye, Jesse W.; Darensbourg, Marcetta Y.; Hall, Michael B.
  • Inorganic Chemistry, Vol. 45, Issue 4
  • DOI: 10.1021/ic051231f

Biomimetic Hydrogen Evolution Catalyzed by an Iron Carbonyl Thiolate
journal, September 2001

  • Gloaguen, Frédéric; Lawrence, Joshua D.; Rauchfuss, Thomas B.
  • Journal of the American Chemical Society, Vol. 123, Issue 38
  • DOI: 10.1021/ja016516f

Carbon Monoxide and Cyanide Ligands in a Classical Organometallic Complex Model for Fe-Only Hydrogenase
journal, November 1999

Structural and Electronic Properties of the [FeFe] Hydrogenase H-Cluster in Different Redox and Protonation States. A DFT Investigation
journal, July 2008

  • Bruschi, Maurizio; Greco, Claudio; Fantucci, Piercarlo
  • Inorganic Chemistry, Vol. 47, Issue 13
  • DOI: 10.1021/ic8006298

Diiron chelate complexes relevant to the active site of the iron-only hydrogenase
journal, August 2008

  • Ezzaher, Salah; Capon, Jean-François; Gloaguen, Frédéric
  • Comptes Rendus Chimie, Vol. 11, Issue 8
  • DOI: 10.1016/j.crci.2008.04.002

Crystallographic and FTIR Spectroscopic Evidence of Changes in Fe Coordination Upon Reduction of the Active Site of the Fe-Only Hydrogenase from Desulfovibrio d esulfuricans
journal, February 2001

  • Nicolet, Yvain; de Lacey, Antonio L.; Vernède, Xavier
  • Journal of the American Chemical Society, Vol. 123, Issue 8, p. 1596-1601
  • DOI: 10.1021/ja0020963

Chelate Control of Diiron(I) Dithiolates Relevant to the [Fe−Fe]- Hydrogenase Active Site
journal, March 2007

  • Justice, Aaron K.; Zampella, Giuseppe; De Gioia, Luca
  • Inorganic Chemistry, Vol. 46, Issue 5
  • DOI: 10.1021/ic0618706

Organometallic Diiron Complex Chemistry Related to the [2Fe] H Subsite of [FeFe]H 2 ase : Organometallic Diiron Complex Chemistry
journal, September 2008

  • Capon, Jean-François; Gloaguen, Frédéric; Pétillon, François Y.
  • European Journal of Inorganic Chemistry, Vol. 2008, Issue 30
  • DOI: 10.1002/ejic.200800717

A short history of SHELX
journal, December 2007

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1, p. 112-122
  • DOI: 10.1107/S0108767307043930

Research on Soluble Metal Sulfides:  From Polysulfido Complexes to Functional Models for the Hydrogenases
journal, January 2004

Combining acid–base, redox and substrate binding functionalities to give a complete model for the [FeFe]-hydrogenase
journal, October 2011

  • Camara, James M.; Rauchfuss, Thomas B.
  • Nature Chemistry, Vol. 4, Issue 1
  • DOI: 10.1038/nchem.1180

The Hydrophilic Phosphatriazaadamantane Ligand in the Development of H 2 Production Electrocatalysts:  Iron Hydrogenase Model Complexes
journal, September 2004

  • Mejia-Rodriguez, Rosario; Chong, Daesung; Reibenspies, Joseph H.
  • Journal of the American Chemical Society, Vol. 126, Issue 38
  • DOI: 10.1021/ja039394v

Chemistry and the hydrogenases
journal, January 2003

  • Evans, David J.; Pickett, Christopher J.
  • Chemical Society Reviews, Vol. 32, Issue 5
  • DOI: 10.1039/b201317g

Hydrogenases: Hydrogen-Activating Enzymes
journal, March 2002

A low-spin iron with CN and CO as intrinsic ligands forms the core of the active site in [Fe]-hydrogenases
journal, December 1998

H 2 Evolution and Molecular Electrocatalysts: Determination of Overpotentials and Effect of Homoconjugation
journal, November 2010

  • Fourmond, Vincent; Jacques, Pierre-André; Fontecave, Marc
  • Inorganic Chemistry, Vol. 49, Issue 22
  • DOI: 10.1021/ic101187v

Electron and proton transfers at diiron dithiolate sites relevant to the catalysis of proton reduction by the [FeFe]-hydrogenases
journal, May 2009

  • Capon, Jean-François; Gloaguen, Frédéric; Pétillon, François Y.
  • Coordination Chemistry Reviews, Vol. 253, Issue 9-10
  • DOI: 10.1016/j.ccr.2008.10.020

Non-innocent bma ligand in a dissymetrically disubstituted diiron dithiolate related to the active site of the [FeFe] hydrogenases
journal, October 2010

Electron Delocalization from the Fullerene Attachment to the Diiron Core within the Active-Site Mimics of [FeFe]Hydrogenase
journal, May 2012

  • Liu, Yu-Chiao; Yen, Tao-Hung; Tseng, Yu-Jan
  • Inorganic Chemistry, Vol. 51, Issue 11
  • DOI: 10.1021/ic3007298

Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center
journal, January 1999

On the electronic structure of the hydrogenase H-cluster
journal, January 2006

  • Schwab, David E.; Tard, Cedric; Brecht, Eric
  • Chemical Communications, Issue 35
  • DOI: 10.1039/b604994j

Small molecule mimics of hydrogenases: hydrides and redox
journal, January 2009

  • Gloaguen, Frédéric; Rauchfuss, Thomas B.
  • Chem. Soc. Rev., Vol. 38, Issue 1
  • DOI: 10.1039/B801796B

Structural and Functional Analogues of the Active Sites of the [Fe]-, [NiFe]-, and [FeFe]-Hydrogenases
journal, June 2009

  • Tard, Cédric; Pickett, Christopher J.
  • Chemical Reviews, Vol. 109, Issue 6
  • DOI: 10.1021/cr800542q

Redox-Switched Oxidation of Dihydrogen Using a Non-Innocent Ligand
journal, January 2008

  • Ringenberg, Mark R.; Kokatam, Swarna Latha; Heiden, Zachariah M.
  • Journal of the American Chemical Society, Vol. 130, Issue 3
  • DOI: 10.1021/ja076801k

Terminal Hydride in [FeFe]-Hydrogenase Model Has Lower Potential for H 2 Production Than the Isomeric Bridging Hydride
journal, April 2008

  • Barton, Bryan E.; Rauchfuss, Thomas B.
  • Inorganic Chemistry, Vol. 47, Issue 7
  • DOI: 10.1021/ic800030y

Hydrogenase enzymes: Recent structural studies and active site models
journal, August 2009