scholarly journals Single Electron Transfer Steps in Water Oxidation Catalysis. Redefining the Mechanistic Scenario

ACS Catalysis ◽  
2017 ◽  
Vol 7 (3) ◽  
pp. 1712-1719 ◽  
Author(s):  
Ignacio Funes-Ardoiz ◽  
Pablo Garrido-Barros ◽  
Antoni Llobet ◽  
Feliu Maseras
Keyword(s):  
Electron Transfer ◽  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Single Electron ◽  
Single Electron Transfer ◽  
Water Oxidation Catalysis

scholarly journals Computational Characterization of Single-Electron Transfer Steps in Water Oxidation

Inorganics ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 32 ◽  
Author(s):  
Adiran de Aguirre ◽  
Ignacio Funes-Ardoiz ◽  
Feliu Maseras
Keyword(s):  
Electron Transfer ◽  
Water Oxidation ◽  
Density Functional ◽  
Outer Sphere ◽  
Oxidation Catalysis ◽  
Single Electron ◽  
Single Electron Transfer ◽  
Inner Sphere ◽  
Water Oxidation Catalysis

The presence of single-electron transfer (SET) steps in water oxidation processes catalyzed by first-row transition metal complexes has been recently recognized, but the computational characterization of this type of process is not trivial. We report a systematic theoretical study based on density functional theory (DFT) calculations on the reactivity of a specific copper complex active in water oxidation that reacts through two consecutive single-electron transfers. Both inner-sphere (through transition state location) and outer-sphere (through Marcus theory) mechanisms are analyzed. The first electron transfer is found to operate through outer-sphere, and the second one through inner-sphere. The current work proposes a scheme for the systematic study of single-electron transfer in water oxidation catalysis and beyond.

scholarly journals Effect of water frustration on water oxidation catalysis in the nanoconfined interlayers of layered manganese oxides birnessite and buserite

2021 ◽  
Author(s):  
Ravneet K. Bhullar ◽  
Michael J. Zdilla ◽  
Michael L. Klein ◽  
Richard C. Remsing
Keyword(s):  
Electron Transfer ◽  
Water Oxidation ◽  
Manganese Oxides ◽  
Reorganization Energy ◽  
Oxidation Catalysis ◽  
Water Molecules ◽  
Effect Of Water ◽  
Geometric Frustration ◽  
Water Oxidation Catalysis

Reacting out of frustration: unlike buserite, the nanoconfined interlayer of birnessite results in geometric frustration of water molecules, which decreases the Marcus reorganization energy of electron transfer and enhances water oxidation catalysis.

Electron Transfer Mediator Effects in Water Oxidation Catalysis by Solution and Surface-Bound Ruthenium Bpy-Dicarboxylate Complexes

2015 ◽  
Vol 119 (45) ◽  
pp. 25420-25428 ◽  
Author(s):  
Matthew V. Sheridan ◽  
Benjamin D. Sherman ◽  
Seth L. Marquard ◽  
Zhen Fang ◽  
Dennis L. Ashford ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Electron Transfer Mediator ◽  
Water Oxidation Catalysis

scholarly journals Electrochemical water oxidation using a copper complex

2018 ◽  
Vol 47 (31) ◽  
pp. 10737-10741 ◽  
Author(s):  
Sebastian Nestke ◽  
Emanuel Ronge ◽  
Inke Siewert
Keyword(s):  
Electron Transfer ◽  
Copper Complex ◽  
Water Oxidation ◽  
Oxidation Catalysis ◽  
Proton Coupled Electron Transfer ◽  
Water Oxidation Catalysis

This study highlights the importance of proton coupled electron transfer (PCET) during electrochemical-driven water oxidation catalysis employing a copper complex.

Reversal of Polarity by Catalytic SET Oxidation: Synthesis of Azabicyclo[m.n.o]alkanes via Chemoselective Reduction of Amidines

2021 ◽  
Author(s):  
Sundarababu Baskaran ◽  
Kirana D V ◽  
Kanak Kanti Das
Keyword(s):  
Electron Transfer ◽  
Stereoselective Synthesis ◽  
Single Electron ◽  
Single Electron Transfer ◽  
Catalytic Method ◽  
One Pot ◽  
Oxidative System ◽  
Oxidation Synthesis

A one-pot catalytic method has been developed for the stereoselective synthesis of cyclopropane-fused cyclic amidines using CuBr2/K2S2O8 as an efficient single electron transfer (SET) oxidative system. The generality of this...

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