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:
-
- Department of Chemistry, Wayne State University, Detroit, USA
- Department of Chemistry, University of Alabama, Huntsville, USA
- Instituto de Química, Universidade Federal Fluminense, Niterói, Brazil
- 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}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1039/C9NJ01283D
https://doi.org/10.1039/C9NJ01283D
Other availability
Cited by: 8 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
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
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
Electrochemical-driven water reduction catalyzed by a water soluble cobalt(III) complex with Schiff base ligand
journal, October 2015
- Fang, Ting; Fu, Ling-Zhi; Zhou, Ling-Ling
- Electrochimica Acta, Vol. 178
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
Mercaptoethanesulfonic acid (CoM imitator) interaction studies with nickel(II) complexes of pyridyl groups containing tetradentate ligands: Synthesis, structure, spectra and redox properties
journal, January 2006
- Guadalupe Hernández, H. Jose; Pandiyan, T.; Bernes, Sylvain
- Inorganica Chimica Acta, Vol. 359, Issue 1
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
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
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
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
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
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
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
[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
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
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
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
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
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
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
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
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
Influence of the secondary coordination sphere on the physical properties of mononuclear copper(II) complexes and their catalytic activity on the oxidation of 3,5-di-tert-butylcatechol
journal, February 2018
- Posada, Nelly B. M.; Guimarães, Marcus A.; Padilha, Diego S.
- Polyhedron, Vol. 141
A study on the properties and reactivity of naphthoquinone–cobalt(III) prototypes for bioreductive prodrugs
journal, March 2014
- Bustamante, Francisco L. S.; Miranda, Fabio S.; Castro, Frederico A. V.
- Journal of Inorganic Biochemistry, Vol. 132
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
General method for the high yield preparation of 2-(4-X-phenylene)amine-1,4-naphthoquinones (X=ferrocenyl, OMe, Me, I, Cl, and NO2) from 2-methoxy-1,4-naphthoquinone and investigation of H+ and Mg2+ catalysts with DFT calculations
journal, November 2008
- Francisco, Acácio I.; Vargas, Maria D.; Carneiro, J. Walkimar de M.
- Journal of Molecular Structure, Vol. 891, Issue 1-3
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
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
Mononuclear nickel (II) and copper (II) coordination complexes supported by bispicen ligand derivatives: Experimental and computational studies
journal, January 2017
- Singh, Nirupama; Niklas, Jens; Poluektov, Oleg
- Inorganica Chimica Acta, Vol. 455
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
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
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
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
journal, January 1988
- Lee, Chengteh; Yang, Weitao; Parr, Robert G.
- Physical Review B, Vol. 37, Issue 2
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
An approach to water-soluble hydrogenase active site models: Synthesis and electrochemistry of diiron dithiolate complexes with 3,7-diacetyl-1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane ligand(s)
journal, November 2006
- Na, Yong; Wang, Mei; Jin, Kun
- Journal of Organometallic Chemistry, Vol. 691, Issue 23
Hydrogen production in a neutral aqueous solution with a water-soluble copper complex
journal, February 2017
- Xin, Zhi-Juan; Liu, Si; Li, Cheng-Bo
- International Journal of Hydrogen Energy, Vol. 42, Issue 7
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