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Title: Effect of ligand substituents on nickel and copper [N 4 ] complexes: electronic and redox behavior, and reactivity towards protons

Abstract

The ligand substituents have a major effect on the redox potentials, catalytic efficiency and robustness of the complexes in HER.

Authors:
 [1];  [1];  [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]
  1. Department of Chemistry, Wayne State University, Detroit, USA
  2. Department of Chemistry, University of Alabama, Huntsville, USA
  3. Instituto de Química, Universidade Federal Fluminense, Niterói, Brazil
  4. Department of Chemistry, Indian Institute of Technology Jammu, Jammu (J&K), India
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1545647
Grant/Contract Number:  
SC0001907
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
New Journal of Chemistry
Additional Journal Information:
Journal Name: New Journal of Chemistry Journal Volume: 43 Journal Issue: 32; Journal ID: ISSN 1144-0546
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Kankanamalage, Pavithra H. A., Ekanayake, Danushka M., Singh, Nirupama, de Morais, Ana C. P., Mazumder, Shivnath, Verani, Cláudio N., Mukherjee, Anusree, and Lanznaster, Mauricio. Effect of ligand substituents on nickel and copper [N 4 ] complexes: electronic and redox behavior, and reactivity towards protons. United Kingdom: N. p., 2019. Web. doi:10.1039/C9NJ01283D.
Kankanamalage, Pavithra H. A., Ekanayake, Danushka M., Singh, Nirupama, de Morais, Ana C. P., Mazumder, Shivnath, Verani, Cláudio N., Mukherjee, Anusree, & Lanznaster, Mauricio. Effect of ligand substituents on nickel and copper [N 4 ] complexes: electronic and redox behavior, and reactivity towards protons. United Kingdom. https://doi.org/10.1039/C9NJ01283D
Kankanamalage, Pavithra H. A., Ekanayake, Danushka M., Singh, Nirupama, de Morais, Ana C. P., Mazumder, Shivnath, Verani, Cláudio N., Mukherjee, Anusree, and Lanznaster, Mauricio. Mon . "Effect of ligand substituents on nickel and copper [N 4 ] complexes: electronic and redox behavior, and reactivity towards protons". United Kingdom. https://doi.org/10.1039/C9NJ01283D.
@article{osti_1545647,
title = {Effect of ligand substituents on nickel and copper [N 4 ] complexes: electronic and redox behavior, and reactivity towards protons},
author = {Kankanamalage, Pavithra H. A. and Ekanayake, Danushka M. and Singh, Nirupama and de Morais, Ana C. P. and Mazumder, Shivnath and Verani, Cláudio N. and Mukherjee, Anusree and Lanznaster, Mauricio},
abstractNote = {The ligand substituents have a major effect on the redox potentials, catalytic efficiency and robustness of the complexes in HER.},
doi = {10.1039/C9NJ01283D},
journal = {New Journal of Chemistry},
number = 32,
volume = 43,
place = {United Kingdom},
year = {2019},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/C9NJ01283D

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Cited by: 8 works
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Works referenced in this record:

Evaluation of Iron(III)-N(amine)2N(py)2 complexes as potential bioreductively activated carriers for naphthoquinone-based drugs
journal, February 2017

  • da Silva, Aline Farias Moreira; Pinheiro, Carlos Basílio; Camargos Resende, Jackson Antônio Lamounier
  • Polyhedron, Vol. 123
  • DOI: 10.1016/j.poly.2016.10.042

Photo- and Electrocatalytic H 2 Production by New First-Row Transition-Metal Complexes Based on an Aminopyridine Pentadentate Ligand
journal, April 2014

  • Call, Arnau; Codolà, Zoel; Acuña-Parés, Ferran
  • Chemistry - A European Journal, Vol. 20, Issue 20
  • DOI: 10.1002/chem.201303317

Electrochemical-driven water reduction catalyzed by a water soluble cobalt(III) complex with Schiff base ligand
journal, October 2015


Cyclic amine complexes of nickel(I), -(II), and -(III). Electrochemistry, preparation, and properties
journal, August 1969

  • Olson, Donald C.; Vasilevskis, J.
  • Inorganic Chemistry, Vol. 8, Issue 8
  • DOI: 10.1021/ic50078a009

Experimental and Theoretical Insight into Electrocatalytic Hydrogen Evolution with Nickel Bis(aryldithiolene) Complexes as Catalysts
journal, November 2015

  • Zarkadoulas, Athanasios; Field, Martin J.; Papatriantafyllopoulou, Constantina
  • Inorganic Chemistry, Vol. 55, Issue 2
  • DOI: 10.1021/acs.inorgchem.5b02000

Consequences of incremental steric crowding at the Fe II N6(S= 2) co-ordination sphere. Synthesis, spectra and electrochemistry
journal, January 1991

  • Mahapatra, Samiran; Gupta, Nishi; Mukherjee, Rabindranath
  • Journal of the Chemical Society, Dalton Transactions, Issue 11
  • DOI: 10.1039/dt9910002911

Electrocatalytic properties of (tetraazacyclotetradecane)nickel(2+) and Ni2(biscyclam)4+ with respect to carbon dioxide and water reduction
journal, June 1988

  • Collin, Jean Paul; Jouaiti, Abdelaziz; Sauvage, Jean Pierre
  • Inorganic Chemistry, Vol. 27, Issue 11
  • DOI: 10.1021/ic00284a030

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

  • Vosko, S. H.; Wilk, L.; Nusair, M.
  • Canadian Journal of Physics, Vol. 58, Issue 8
  • DOI: 10.1139/p80-159

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
  • DOI: 10.1021/jp810292n

Recent progress in electrochemical hydrogen production with earth-abundant metal complexes as catalysts
journal, January 2012

  • Wang, Mei; Chen, Lin; Sun, Licheng
  • Energy & Environmental Science, Vol. 5, Issue 5
  • DOI: 10.1039/c2ee03309g

A pentadentate nitrogen-rich copper electrocatalyst for water reduction with pH-dependent molecular mechanisms
journal, January 2017

  • Ekanayake, Danushka M.; Kulesa, Krista M.; Singh, Jaffarguriqbal
  • Dalton Transactions, Vol. 46, Issue 48
  • DOI: 10.1039/C7DT02711G

[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

Inside Cover: Electrocatalytic Hydrogen Production by a Nickel(II) Complex with a Phosphinopyridyl Ligand (Angew. Chem. Int. Ed. 17/2016)
journal, March 2016

  • Tatematsu, Ryo; Inomata, Tomohiko; Ozawa, Tomohiro
  • Angewandte Chemie International Edition, Vol. 55, Issue 17
  • DOI: 10.1002/anie.201602377

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

  • Dolg, M.; Wedig, U.; Stoll, H.
  • The Journal of Chemical Physics, Vol. 86, Issue 2
  • DOI: 10.1063/1.452288

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

  • Sun, Yujie; Bigi, Julian P.; Piro, Nicholas A.
  • Journal of the American Chemical Society, Vol. 133, Issue 24
  • DOI: 10.1021/ja202743r

In air a spin crossover active iron( ii ) complex of amine/NCBH 3 ligands is converted to a low spin complex of imine/CN ligands
journal, January 2015

  • Zhou, Jian; Zhu, Bo-Wen; Luan, Jie
  • Dalton Transactions, Vol. 44, Issue 47
  • DOI: 10.1039/C5DT03464G

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

  • Basu, Debashis; Mazumder, Shivnath; Shi, Xuetao
  • Angewandte Chemie International Edition, Vol. 54, Issue 7
  • DOI: 10.1002/anie.201409813

Nickel-complexes with a mixed-donor ligand for photocatalytic hydrogen evolution from aqueous solutions under visible light
journal, January 2012

  • Han, Jianyu; Zhang, Wei; Zhou, Tianhua
  • RSC Advances, Vol. 2, Issue 22
  • DOI: 10.1039/c2ra21422a

Water oxidation catalysis with ligand substituted Ru–bpp type complexes
journal, January 2016

  • Roeser, Stephan; Bozoglian, Fernando; Richmond, Craig J.
  • Catalysis Science & Technology, Vol. 6, Issue 13
  • DOI: 10.1039/C6CY00197A

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

  • Francl, Michelle M.; Pietro, William J.; Hehre, Warren J.
  • The Journal of Chemical Physics, Vol. 77, Issue 7, p. 3654-3665
  • DOI: 10.1063/1.444267

A study on the properties and reactivity of naphthoquinone–cobalt(III) prototypes for bioreductive prodrugs
journal, March 2014


Series of Structural and Functional Models for the ES (Enzyme–Substrate) Complex of the Co(II)-Containing Quercetin 2,3-Dioxygenase
journal, February 2014

  • Sun, Ying-Ji; Huang, Qian-Qian; Zhang, Jian-Jun
  • Inorganic Chemistry, Vol. 53, Issue 6
  • DOI: 10.1021/ic402695c

Synthesis, Structure, and Characterization of New Mononuclear Mn(II) Complexes. Electrochemical Conversion into New Oxo-Bridged Mn 2 (III,IV) Complexes. Role of Chloride Ions
journal, May 2005

  • Hureau, Christelle; Blondin, Geneviève; Charlot, Marie-France
  • Inorganic Chemistry, Vol. 44, Issue 10
  • DOI: 10.1021/ic050243y

Electronic Effects of Electron-Donating and -Withdrawing Groups in Model Complexes for Iron-Tyrosine-Containing Metalloenzymes
journal, February 2006

  • Lanznaster, Mauricio; Neves, Ademir; Bortoluzzi, Adailton J.
  • Inorganic Chemistry, Vol. 45, Issue 3
  • DOI: 10.1021/ic050869o

Mononuclear nickel (II) and copper (II) coordination complexes supported by bispicen ligand derivatives: Experimental and computational studies
journal, January 2017


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

  • Luca, Oana R.; Konezny, Steven J.; Blakemore, James D.
  • New Journal of Chemistry, Vol. 36, Issue 5
  • DOI: 10.1039/c2nj20912h

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

  • McCrory, Charles C. L.; Uyeda, Christopher; Peters, Jonas C.
  • Journal of the American Chemical Society, Vol. 134, Issue 6
  • DOI: 10.1021/ja210661k

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

  • Stubbert, Bryan D.; Peters, Jonas C.; Gray, Harry B.
  • Journal of the American Chemical Society, Vol. 133, Issue 45
  • DOI: 10.1021/ja2078015

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


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

  • Hariharan, P. C.; Pople, J. A.
  • Theoretica Chimica Acta, Vol. 28, Issue 3
  • DOI: 10.1007/BF00533485

A mononuclear copper electrocatalyst for both water reduction and oxidation
journal, January 2014

  • Fu, Ling-Zhi; Fang, Ting; Zhou, Ling-Ling
  • RSC Adv., Vol. 4, Issue 96
  • DOI: 10.1039/C4RA07211A

Synthesis, spectroscopy and electrochemistry of ruthenium(II) complexes of tridentate pyridylpyrazole ligands. Predominance of electronic over steric effects
journal, January 1992

  • Mahapatra, Samiran; Mukherjee, Rabindranath
  • Journal of the Chemical Society, Dalton Transactions, Issue 15
  • DOI: 10.1039/dt9920002337

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

  • Kankanamalage, Pavithra H. A.; Mazumder, Shivnath; Tiwari, Vishwas
  • Chemical Communications, Vol. 52, Issue 91
  • DOI: 10.1039/C6CC06629A

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

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

  • Basu, Debashis; Mazumder, Shivnath; Shi, Xuetao
  • Angewandte Chemie, Vol. 127, Issue 7
  • DOI: 10.1002/ange.201409813

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

  • Helm, M. L.; Stewart, M. P.; Bullock, R. M.
  • Science, Vol. 333, Issue 6044, p. 863-866
  • DOI: 10.1126/science.1205864

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

  • Zhang, Peili; Wang, Mei; Yang, Yong
  • Chem. Commun., Vol. 50, Issue 91
  • DOI: 10.1039/C4CC05511J

Solar fuels generation and molecular systems: is it homogeneous or heterogeneous catalysis?
journal, January 2013

  • Artero, Vincent; Fontecave, Marc
  • Chem. Soc. Rev., Vol. 42, Issue 6
  • DOI: 10.1039/C2CS35334B

Investigation of cobalt( iii )-triazole systems as prototypes for hypoxia-activated drug delivery
journal, January 2016

  • de Souza, Isabela Cristina Aguiar; Faro, Leticia Villafranca; Pinheiro, Carlos Basilio
  • Dalton Transactions, Vol. 45, Issue 35
  • DOI: 10.1039/C6DT02456D

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

  • Singh, Wangkheimayum Marjit; Baine, Teera; Kudo, Shotaro
  • Angewandte Chemie International Edition, Vol. 51, Issue 24
  • DOI: 10.1002/anie.201200082

Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere
journal, June 2013

  • Yang, Jenny Y.; Smith, Stuart E.; Liu, Tianbiao
  • Journal of the American Chemical Society, Vol. 135, Issue 26
  • DOI: 10.1021/ja400705a

Nickel Pyridinethiolate Complexes as Catalysts for the Light-Driven Production of Hydrogen from Aqueous Solutions in Noble-Metal-Free Systems
journal, September 2013

  • Han, Zhiji; Shen, Luxi; Brennessel, William W.
  • Journal of the American Chemical Society, Vol. 135, Issue 39
  • DOI: 10.1021/ja405257s

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

  • Zhang, Peili; Wang, Mei; Yang, Yong
  • Angewandte Chemie International Edition, Vol. 53, Issue 50
  • DOI: 10.1002/anie.201408266

A Nickel Phosphine Complex as a Fast and Efficient Hydrogen Production Catalyst
journal, January 2015

  • Gan, Lu; Groy, Thomas L.; Tarakeshwar, Pilarisetty
  • Journal of the American Chemical Society, Vol. 137, Issue 3
  • DOI: 10.1021/ja509779q

Electrochemical Behavior of Copper Complexes with Substituted Polypyridinic Ligands: An Experimental and Theoretical Study
journal, May 2008

  • Cañon-Mancisidor, Walter; Spodine, Evgenia; Venegas-Yazigi, Diego
  • Inorganic Chemistry, Vol. 47, Issue 9
  • DOI: 10.1021/ic702104u

A Nickel Thiolate Catalyst for the Long-Lived Photocatalytic Production of Hydrogen in a Noble-Metal-Free System
journal, January 2012

  • Han, Zhiji; McNamara, William R.; Eum, Min-Sik
  • Angewandte Chemie International Edition, Vol. 51, Issue 7
  • DOI: 10.1002/anie.201107329

Cobalt and nickel diimine-dioxime complexes as molecular electrocatalysts for hydrogen evolution with low overvoltages
journal, November 2009

  • Jacques, P. -A.; Artero, V.; Pecaut, J.
  • Proceedings of the National Academy of Sciences, Vol. 106, Issue 49
  • DOI: 10.1073/pnas.0907775106

Organometallic Ni Pincer Complexes for the Electrocatalytic Production of Hydrogen
journal, July 2012

  • Luca, Oana R.; Blakemore, James D.; Konezny, Steven J.
  • Inorganic Chemistry, Vol. 51, Issue 16
  • DOI: 10.1021/ic300009a

Nickel(II) complexes with tetradentate N4 ligands: Synthesis, structure, electrochemistry and thermochromism in solution
journal, May 2012

  • Kryatova, Maria S.; Makhlynets, Olga V.; Nazarenko, Alexander Y.
  • Inorganica Chimica Acta, Vol. 387
  • DOI: 10.1016/j.ica.2011.12.054

Hydrogen production in a neutral aqueous solution with a water-soluble copper complex
journal, February 2017


A new ligand H4Lox and its iron(III) complex as a platform for the development of heterotrimetallic complexes
journal, October 2016

  • Firmo, Roberta Nunes; de Souza, Isabela Cristina Aguiar; Miranda, Fabio da Silva
  • Polyhedron, Vol. 117
  • DOI: 10.1016/j.poly.2016.06.022