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Title: Controlling Proton Delivery through Catalyst Structural Dynamics

Authors:
 [1];  [2];  [2];  [2];  [2];  [2];  [2];  [2];  [2]
  1. Center for Molecular Electrocatalysis, Pacific Northwest National Laboratory, P.O. Box 999, K2-57 Richland WA 99352 USA; 221 Science Center, State University of New York at Fredonia, Fredonia NY 14063 USA
  2. Center for Molecular Electrocatalysis, Pacific Northwest National Laboratory, P.O. Box 999, K2-57 Richland WA 99352 USA
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Center for Molecular Electrocatalysis (CME)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1388790
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Journal Name:
Angewandte Chemie (International Edition)
Additional Journal Information:
Journal Volume: 55; Journal Issue: 43; Related Information: CME partners with Pacific Northwest National Laboratory (lead); University of Illinois, Urbana-Champaign; Pennsylvania State University; University of Washington; University of Wyoming; Journal ID: ISSN 1433-7851
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
catalysis (homogeneous), catalysis (heterogeneous), solar (fuels), bio-inspired, energy storage (including batteries and capacitors), hydrogen and fuel cells, charge transport, materials and chemistry by design, synthesis (novel materials)

Citation Formats

Cardenas, Allan Jay P., Ginovska, Bojana, Kumar, Neeraj, Hou, Jianbo, Raugei, Simone, Helm, Monte L., Appel, Aaron M., Bullock, R. Morris, and O'Hagan, Molly. Controlling Proton Delivery through Catalyst Structural Dynamics. United States: N. p., 2016. Web. doi:10.1002/anie.201607460.
Cardenas, Allan Jay P., Ginovska, Bojana, Kumar, Neeraj, Hou, Jianbo, Raugei, Simone, Helm, Monte L., Appel, Aaron M., Bullock, R. Morris, & O'Hagan, Molly. Controlling Proton Delivery through Catalyst Structural Dynamics. United States. doi:10.1002/anie.201607460.
Cardenas, Allan Jay P., Ginovska, Bojana, Kumar, Neeraj, Hou, Jianbo, Raugei, Simone, Helm, Monte L., Appel, Aaron M., Bullock, R. Morris, and O'Hagan, Molly. Tue . "Controlling Proton Delivery through Catalyst Structural Dynamics". United States. doi:10.1002/anie.201607460.
@article{osti_1388790,
title = {Controlling Proton Delivery through Catalyst Structural Dynamics},
author = {Cardenas, Allan Jay P. and Ginovska, Bojana and Kumar, Neeraj and Hou, Jianbo and Raugei, Simone and Helm, Monte L. and Appel, Aaron M. and Bullock, R. Morris and O'Hagan, Molly},
abstractNote = {},
doi = {10.1002/anie.201607460},
journal = {Angewandte Chemie (International Edition)},
issn = {1433-7851},
number = 43,
volume = 55,
place = {United States},
year = {2016},
month = {9}
}

Works referenced in this record:

Radical Cage Effects: Comparison of Solvent Bulk Viscosity and Microviscosity in Predicting the Recombination Efficiencies of Radical Cage Pairs
journal, July 2016

  • Barry, Justin T.; Berg, Daniel J.; Tyler, David R.
  • Journal of the American Chemical Society, Vol. 138, Issue 30
  • DOI: 10.1021/jacs.6b05432

Substantial Improvement of Pyridine-Carbene Iridium Water Oxidation Catalysts by a Simple Methyl-to-Octyl Substitution
journal, March 2015


Acidic ionic liquid/water solution as both medium and proton source for electrocatalytic H2 evolution by [Ni(P2N2)2]2+ complexes
journal, June 2012

  • Pool, D. H.; Stewart, M. P.; O'Hagan, M.
  • Proceedings of the National Academy of Sciences, Vol. 109, Issue 39
  • DOI: 10.1073/pnas.1120208109

Flexibility, Diversity, and Cooperativity: Pillars of Enzyme Catalysis
journal, December 2011

  • Hammes, Gordon G.; Benkovic, Stephen J.; Hammes-Schiffer, Sharon
  • Biochemistry, Vol. 50, Issue 48
  • DOI: 10.1021/bi201486f

Catalytic Turnover of [FeFe]-Hydrogenase Based on Single-Molecule Imaging
journal, October 2011

  • Madden, Christopher; Vaughn, Michael D.; Díez-Pérez, Ismael
  • Journal of the American Chemical Society, Vol. 134, Issue 3
  • DOI: 10.1021/ja207461t

Ab Initio-Based Kinetic Modeling for the Design of Molecular Catalysts: The Case of H 2 Production Electrocatalysts
journal, August 2015


Keep on Moving: Discovering and Perturbing the Conformational Dynamics of Enzymes
journal, December 2014

  • Bhabha, Gira; Biel, Justin T.; Fraser, James S.
  • Accounts of Chemical Research, Vol. 48, Issue 2
  • DOI: 10.1021/ar5003158

Electrocatalytic H 2 production with a turnover frequency >10 7 s −1 : the medium provides an increase in rate but not overpotential
journal, January 2014

  • Hou, Jianbo; Fang, Ming; Cardenas, Allan Jay P.
  • Energy Environ. Sci., Vol. 7, Issue 12
  • DOI: 10.1039/C4EE01899K

High Catalytic Rates for Hydrogen Production Using Nickel Electrocatalysts with Seven-Membered Cyclic Diphosphine Ligands Containing One Pendant Amine
journal, February 2013

  • Stewart, Michael P.; Ho, Ming-Hsun; Wiese, Stefan
  • Journal of the American Chemical Society, Vol. 135, Issue 16
  • DOI: 10.1021/ja400181a

Photoswitchable Catalysts: Correlating Structure and Conformational Dynamics with Reactivity by a Combined Experimental and Computational Approach
journal, January 2009

  • Stoll, Ragnar S.; Peters, Maike V.; Kuhn, Andreas
  • Journal of the American Chemical Society, Vol. 131, Issue 1
  • DOI: 10.1021/ja807694s

Conformational Dynamics and Proton Relay Positioning in Nickel Catalysts for Hydrogen Production and Oxidation
journal, November 2013

  • Franz, James A.; O’Hagan, Molly; Ho, Ming-Hsun
  • Organometallics, Vol. 32, Issue 23
  • DOI: 10.1021/om400695w

[Ni(P Ph 2 N C6H4X 2 ) 2 ] 2+ Complexes as Electrocatalysts for H 2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates
journal, April 2011

  • Kilgore, Uriah J.; Roberts, John A. S.; Pool, Douglas H.
  • Journal of the American Chemical Society, Vol. 133, Issue 15
  • DOI: 10.1021/ja109755f

Linking Structural Dynamics and Functional Diversity in Asymmetric Catalysis
journal, March 2009

  • Nojiri, Akihiro; Kumagai, Naoya; Shibasaki, Masakatsu
  • Journal of the American Chemical Society, Vol. 131, Issue 10
  • DOI: 10.1021/ja900084k

Water-assisted proton delivery and removal in bio-inspired hydrogen production catalysts
journal, January 2015

  • Ho, Ming-Hsun; O'Hagan, Molly; Dupuis, Michel
  • Dalton Transactions, Vol. 44, Issue 24
  • DOI: 10.1039/C5DT00782H

[Ni(P Me 2 N Ph 2 ) 2 ](BF 4 ) 2 as an Electrocatalyst for H 2 Production
journal, March 2012

  • Wiese, Stefan; Kilgore, Uriah J.; DuBois, Daniel L.
  • ACS Catalysis, Vol. 2, Issue 5
  • DOI: 10.1021/cs300019h

Multielectron, Multistep Molecular Catalysis of Electrochemical Reactions: Benchmarking of Homogeneous Catalysts
journal, June 2014


Direct Determination of Equilibrium Potentials for Hydrogen Oxidation/Production by Open Circuit Potential Measurements in Acetonitrile
journal, June 2012

  • Roberts, John A. S.; Bullock, R. Morris
  • Inorganic Chemistry, Vol. 52, Issue 7
  • DOI: 10.1021/ic302461q

Zirconocene Complexes with Cyclopenta[ l ]phenanthrene Ligands:  Syntheses, Structural Dynamics, and Properties as Olefin Polymerization Catalysts
journal, September 2000

  • Schneider, Nicole; Schaper, Frank; Schmidt, Katrin
  • Organometallics, Vol. 19, Issue 18
  • DOI: 10.1021/om000149j

Structure/Function Relationships of [NiFe]- and [FeFe]-Hydrogenases
journal, October 2007

  • Fontecilla-Camps, Juan C.; Volbeda, Anne; Cavazza, Christine
  • Chemical Reviews, Vol. 107, Issue 10
  • DOI: 10.1021/cr050195z

Comprehensive Chirality Sensing: Development of Stereodynamic Probes with a Dual (Chir)optical Response
journal, June 2014

  • Bentley, Keith W.; Wolf, Christian
  • The Journal of Organic Chemistry, Vol. 79, Issue 14
  • DOI: 10.1021/jo500959y

Hydrogenases
journal, March 2014

  • Lubitz, Wolfgang; Ogata, Hideaki; Rüdiger, Olaf
  • Chemical Reviews, Vol. 114, Issue 8
  • DOI: 10.1021/cr4005814

Dynamically Achieved Active Site Precision in Enzyme Catalysis
journal, December 2014

  • Klinman, Judith P.
  • Accounts of Chemical Research, Vol. 48, Issue 2
  • DOI: 10.1021/ar5003347

Development of Molecular Electrocatalysts for Energy Storage
journal, February 2014


Metals and Their Scaffolds To Promote Difficult Enzymatic Reactions
journal, August 2006


Production of hydrogen by electrocatalysis: making the H–H bond by combining protons and hydrides
journal, January 2014

  • Bullock, R. Morris; Appel, Aaron M.; Helm, Monte L.
  • Chem. Commun., Vol. 50, Issue 24
  • DOI: 10.1039/C3CC46135A