skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms

Abstract

A copper catalyst is active towards water reduction with distinctive pH-dependent mechanisms. The CuIII–H-intermediate is bypassed by PCET processes.

Authors:
 [1];  [1];  [2];  [1];  [2]; ORCiD logo [1]; ORCiD logo [1]
  1. Department of Chemistry; Wayne State University; Detroit; USA
  2. Department of Chemistry; Hofstra University; Hempstead; USA
Publication Date:
Research Org.:
Wayne State Univ., Detroit, MI (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1539913
DOE Contract Number:  
SC0001907
Resource Type:
Journal Article
Journal Name:
Dalton Transactions
Additional Journal Information:
Journal Volume: 46; Journal Issue: 48; Journal ID: ISSN 1477-9226
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
Chemistry

Citation Formats

Ekanayake, Danushka M., Kulesa, Krista M., Singh, Jaffarguriqbal, Kpogo, Kenneth K., Mazumder, Shivnath, Bernhard Schlegel, H., and Verani, Cláudio N. A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms. United States: N. p., 2017. Web. doi:10.1039/c7dt02711g.
Ekanayake, Danushka M., Kulesa, Krista M., Singh, Jaffarguriqbal, Kpogo, Kenneth K., Mazumder, Shivnath, Bernhard Schlegel, H., & Verani, Cláudio N. A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms. United States. https://doi.org/10.1039/c7dt02711g
Ekanayake, Danushka M., Kulesa, Krista M., Singh, Jaffarguriqbal, Kpogo, Kenneth K., Mazumder, Shivnath, Bernhard Schlegel, H., and Verani, Cláudio N. 2017. "A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms". United States. https://doi.org/10.1039/c7dt02711g.
@article{osti_1539913,
title = {A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms},
author = {Ekanayake, Danushka M. and Kulesa, Krista M. and Singh, Jaffarguriqbal and Kpogo, Kenneth K. and Mazumder, Shivnath and Bernhard Schlegel, H. and Verani, Cláudio N.},
abstractNote = {A copper catalyst is active towards water reduction with distinctive pH-dependent mechanisms. The CuIII–H-intermediate is bypassed by PCET processes.},
doi = {10.1039/c7dt02711g},
url = {https://www.osti.gov/biblio/1539913}, journal = {Dalton Transactions},
issn = {1477-9226},
number = 48,
volume = 46,
place = {United States},
year = {Sun Jan 01 00:00:00 EST 2017},
month = {Sun Jan 01 00:00:00 EST 2017}
}

Works referenced in this record:

Phenoxyl radicals: H-bonded and coordinated to Cu( ii ) and Zn( ii )
journal, January 2006


Photophysical and ab Initio Studies of Mononuclear Copper(I) Complexes
journal, January 1996


Recent advances in phenoxyl radical complexes of salen-type ligands as mixed-valent galactose oxidase models
journal, January 2013


Theoretical studies of the mechanism of catalytic hydrogen production by a cobaloxime
journal, January 2011


The mechanism of hydrogen evolution in Cu(bztpen)-catalysed water reduction: a DFT study
journal, January 2015


Metal−Ligand Charge-Transfer-Promoted Photoelectronic Bergman Cyclization of Copper Metalloenediynes:  Photochemical DNA Cleavage via C-4‘ H-Atom Abstraction
journal, May 2003


Copper(II) complexes of sterically hindered Schiff base ligands: Synthesis, structure, spectra and electrochemistry
journal, March 2006


Ferrocene as an internal standard for electrochemical measurements
journal, September 1980


Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
journal, August 1980


Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
journal, May 2009

  • Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
  • The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
  • https://doi.org/10.1021/jp810292n

A dinuclear copper(II) electrocatalyst both water reduction and oxidation
journal, January 2015


One-Electron Oxidized Copper(II) Salophen Complexes: Phenoxyl versus Diiminobenzene Radical Species
journal, December 2011


Galactose Oxidase Models: Creation and Modification of Proton Transfer Coupled to Copper(II) Coordination Processes in Pro-Phenoxyl Ligands
journal, September 2006


First mononuclear copper(II) electro-catalyst for catalyzing hydrogen evolution from acetic acid and water
journal, September 2014


Identification and Characterization of the “Super-Reduced” State of the H-Cluster in [FeFe] Hydrogenase: A New Building Block for the Catalytic Cycle?
journal, October 2012


Energy‐adjusted a b i n i t i o pseudopotentials for the first row transition elements
journal, January 1987


Electronic and interfacial behavior of gemini metallosurfactants with copper(ii)/pseudohalide cascade cores
journal, January 2013


Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water
journal, June 2011


OLEX2 : a complete structure solution, refinement and analysis program
journal, January 2009


Ligand Transformations and Efficient Proton/Water Reduction with Cobalt Catalysts Based on Pentadentate Pyridine-Rich Environments
journal, December 2014


Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements
journal, October 1982


A tridentate Ni pincer for aqueous electrocatalytic hydrogen production
journal, January 2012


Electron Transfer by Copper Centers
journal, February 2004


Electrocatalytic Hydrogen Evolution in Acidic Water with Molecular Cobalt Tetraazamacrocycles
journal, February 2012


Syntheses and Properties of Dinuclear Copper(II) Complexes with 2,6-Bis[bis(2-pyridylmethyl)aminomethyl]-4-methylphenol
journal, April 1984


Interfacial Behavior and Film Patterning of Redox-Active Cationic Copper(II)-Containing Surfactants
journal, October 2008


Complexes of earth-abundant metals for catalytic electrochemical hydrogen generation under aqueous conditions
journal, January 2013


Rapid Water Reduction to H 2 Catalyzed by a Cobalt Bis(iminopyridine) Complex
journal, November 2011


Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
journal, January 1988


A short history of SHELX
journal, December 2007


The influence of polarization functions on molecular orbital hydrogenation energies
journal, January 1973


Efficient electro/photocatalytic water reduction using a [Ni II (N 2 Py 3 )] 2+ complex
journal, January 2016


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


Notes- Dissociation Constants of 2-Substituted Pyridines
journal, February 1960


A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production
journal, August 2011


Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water
journal, January 2014


Synthesis, Structure and Properties of Five-Coordinate Copper(II) Complexes of Pentadentate Ligands with Pyridyl Pendant Arms
journal, January 1995


Electrocatalytic and Photocatalytic Hydrogen Production in Aqueous Solution by a Molecular Cobalt Complex
journal, April 2012


A Molecular Copper Catalyst for Electrochemical Water Reduction with a Large Hydrogen-Generation Rate Constant in Aqueous Solution
journal, October 2014


Aqueous Solvation Free Energies of Ions and Ion−Water Clusters Based on an Accurate Value for the Absolute Aqueous Solvation Free Energy of the Proton
journal, August 2006


Synthesis, Redox, and Amphiphilic Properties of Responsive Salycilaldimine-Copper(II) Soft Materials
journal, April 2008


Copper complexes as catalyst precursors in the electrochemical hydrogen evolution reaction
journal, January 2016


Hydrogenases
journal, March 2014


Charge-transfer absorption and emission of Cu(NN)2+ systems
journal, December 1987