scholarly journals Molecular water oxidation catalysis by zwitterionic carboxylate bridge-functionalized bis-NHC iridium complexes

2019 ◽  
Vol 9 (6) ◽  
pp. 1437-1450 ◽  
Author(s):  
Raquel Puerta-Oteo ◽  
M. Victoria Jiménez ◽  
Jesús J. Pérez-Torrente
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Molecular Water ◽  
Iridium Complexes ◽  
Intermediate Species ◽  
Carboxylate Bridge ◽  
Water Oxidation Catalysis ◽  
High Valent

Carboxylate functionalized bis-NHC ligands allow for the stabilization of high-valent iridium intermediate species involved in homogeneous water oxidation catalysis.

scholarly journals Post Synthetic Defect Engineering of UiO-66 Metal–Organic Framework with An Iridium(III)-HEDTA Complex and Application in Water Oxidation Catalysis

Inorganics ◽  
2019 ◽  
Vol 7 (10) ◽  
pp. 123 ◽  
Author(s):  
Giordano Gatto ◽  
Alceo Macchioni ◽  
Roberto Bondi ◽  
Fabio Marmottini ◽  
Ferdinando Costantino
Keyword(s):  
Water Oxidation ◽  
Metal Organic Framework ◽  
Oxidation Catalysis ◽  
Partial Substitution ◽  
Iridium Complexes ◽  
Cerium Ammonium Nitrate ◽  
Highly Active ◽  
Water Oxidation Catalysis ◽  
Metal Organic ◽  
Organic Framework

Clean production of renewable fuels is a great challenge of our scientific community. Iridium complexes have demonstrated a superior catalytic activity in the water oxidation (WO) reaction, which is a crucial step in water splitting process. Herein, we have used a defective zirconium metal–organic framework (MOF) with UiO-66 structure as support of a highly active Ir complex based on EDTA with the formula [Ir(HEDTA)Cl]Na. The defects are induced by the partial substitution of terephthalic acid with smaller formate groups. Anchoring of the complex occurs through a post-synthetic exchange of formate anions, coordinated at the zirconium clusters of the MOF, with the free carboxylate group of the [Ir(HEDTA)Cl]− complex. The modified material was tested as a heterogeneous catalyst for the WO reaction by using cerium ammonium nitrate (CAN) as the sacrificial agent. Although turnover frequency (TOF) and turnover number (TON) values are comparable to those of other iridium heterogenized catalysts, the MOF exhibits iridium leaching not limited at the first catalytic run, as usually observed, suggesting a lack of stability of the hybrid system under strong oxidative conditions.

Highly Effective Water Oxidation Catalysis with Iridium Complexes through the Use of NaIO4

2013 ◽  
Vol 19 (22) ◽  
pp. 7203-7213 ◽  
Author(s):  
Zoel Codolà ◽  
João M. S. Cardoso ◽  
Beatriz Royo ◽  
Miquel Costas ◽  
Julio Lloret-Fillol
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Iridium Complexes ◽  
Highly Effective ◽  
Water Oxidation Catalysis ◽  
Effective Water

scholarly journals High-Throughput Screening and Rational Design to Drive Discovery in Molecular Water Oxidation Catalysis

2021 ◽  
Author(s):  
Michael Craig ◽  
Max Garcia-Melchor
Keyword(s):  
Density Functional Theory ◽  
Water Oxidation ◽  
High Throughput Screening ◽  
Density Functional ◽  
Rational Design ◽  
Oxidation Catalysis ◽  
Molecular Water ◽  
Future Research ◽  
Functional Theory ◽  
Water Oxidation Catalysis

In this work we study a library of 444 hypothetical complexes for the OER composed of distinct metals (Cr, Mn, Fe, Ru, Co & Ni) and ligand skeletons. These were analysed using density functional theory via different functionals to drive interesting insights and suggestions for future research of this reaction.

Half-Sandwich Iridium Complexes for Homogeneous Water-Oxidation Catalysis

2010 ◽  
Vol 132 (45) ◽  
pp. 16017-16029 ◽  
Author(s):  
James D. Blakemore ◽  
Nathan D. Schley ◽  
David Balcells ◽  
Jonathan F. Hull ◽  
Gerard W. Olack ◽  
...  
Keyword(s):  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Iridium Complexes ◽  
Water Oxidation Catalysis ◽  
Half Sandwich

In Situ ATR Infrared Study of Cobalt-Borate Water Oxidation Catalysts

2020 ◽  
Vol 998 ◽  
pp. 123-133
Author(s):  
Li Fei Xi ◽  
Christoph Schwanke ◽  
Kathrin M. Lange ◽  
Marcel Risch
Keyword(s):  
Water Oxidation ◽  
Attenuated Total Reflection ◽  
Oxidation Catalysis ◽  
Oxidation Catalyst ◽  
Sodium Borate ◽  
Intermediate Species ◽  
Infrared Study ◽  
Electrode Surfaces ◽  
Water Oxidation Catalysis

Understanding the process of water oxidation, especially intermediate species, represents an important step toward gaining a mechanistic understanding of new emerging catalysts. The aim of this study is exploring the process of water oxidation and electrolyte orientation under external potential when using an emerging water oxidation catalyst, CoBi, in sodium borate (NaBi) buffer using in situ attenuated–total-reflection Fourier transform infrared spectroscopy (ATR-FTIR) spectroscopy. CoBi is generated via electrodeposition from aqueous solutions containing borate and Co2+. IR spectra were obtained for CoBi films under applied potentials supporting water oxidation catalysis. The spectra of water and CoBi on ZnSe/Cr/Au electrode surfaces change in intensity and their slope depends on the potential, which is rarely reported. The appearance of new bands at certain potentials is interpreted in terms of the potential-dependent re-alignment of water and borate molecules both from the film and electrolyte. A superoxide surface intermediate at 1027 cm-1 was observed in both thin and thick films. It is proposed to be Co (III)OO*H bridging and relates to a fast water oxidation process. The chemical structure of the intermediate species is proposed finally.

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