Theoretical study on the mechanism of water oxidation catalyzed by a mononuclear copper complex: important roles of a redox non-innocent ligand and HPO<sub>4</sub><sup>2−</sup>anion-Reference-Cited by-同舟云学术

Theoretical study on the mechanism of water oxidation catalyzed by a mononuclear copper complex: important roles of a redox non-innocent ligand and HPO₄²⁻anion

Published:2023 Issue:12 Volume:13 Page:8352-8359
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Li Ying-Ying¹^ORCID,Wang Xiao-Yan¹,Li Hui-Ji¹,Chen Jia-Yi²,Kou Yao-Hua¹,Li Xiao¹,Wang Yaping¹

Affiliation:

1. School of Chemistry and Chemical Engineering, Zhengzhou Normal University, Zhengzhou 450044, China

2. Key Laboratory of Material Chemistry for Energy Conversion and Storage, Ministry of Education, Hubei Key Laboratory of Bioinorganic Chemistry and Materia Medica, Hubei Key Laboratory of Materials Chemistry and Service Failure, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Wuhan 430074, P. R. China

Abstract

DFT calculations suggest the redox non-innocent role of the ligand and proton-accepting role of HPO42−are beneficial for the water oxidation catalyzed by a mononuclear copper complex.

Funder

Henan Provincial Scientific and Technological Projects

Key Scientific Research Project of Colleges and Universities in Henan Province

Zhengzhou Normal University

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/RA/D3RA00648D

Reference58 articles.

1. Homogeneous Catalysts Based on First‐Row Transition‐Metals for Electrochemical Water Oxidation

2. Molecular and heterogeneous water oxidation catalysts: recent progress and joint perspectives

3. The development of molecular water oxidation catalysts

4. Enzyme-like water preorganization in a synthetic molecular cleft for homogeneous water oxidation catalysis

5. From Ru-bda to Ru-bds: a step forward to highly efficient molecular water oxidation electrocatalysts under acidic and neutral conditions

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