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Get Free AccessThis computational study elucidates the role played by ligand non-innocence in CO 2 reduction on the basis of analyses of electronic structure evolution of highly efficient iron-tetraphenylporphyrin and ten other transition metal complexes, all bearing non-innocent ligands.
Maxime Tarrago, Shengfa Ye, Frank Neese (2022). Electronic structure analysis of electrochemical CO<sub>2</sub> reduction by iron-porphyrins reveals basic requirements for design of catalysts bearing non-innocent ligands. Chemical Science, 13(34), pp. 10029-10047, DOI: 10.1039/d2sc01863b.
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Type
Article
Year
2022
Authors
3
Datasets
0
Total Files
0
Language
English
Journal
Chemical Science
DOI
10.1039/d2sc01863b
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