Demonstration of the Radical Coupling Pathway in a Fast Fe-Based Water Oxidation Catalyst.

Jully Patel, Gabriel Bury, Roman Ezhov, Yulia Pushkar

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Article in Artificial photosynthesis (Washington, D.C.), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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5 · Who and what money

Authors and funding

4 authors.

Jully PatelDepartment of Chemistry, Lebanon Valley College, Annville, Pennsylvania 17003, United States.ORCID https://orcid.org/0000-0002-4008-2165

Gabriel BuryDepartment of Physics and Astronomy, Purdue University, West Lafayette, Indiana 47907, United States.

Roman EzhovDepartment of Physics and Astronomy, Purdue University, West Lafayette, Indiana 47907, United States.ORCID https://orcid.org/0000-0001-6806-4033

Yulia PushkarDepartment of Physics and Astronomy, Purdue University, West Lafayette, Indiana 47907, United States.ORCID https://orcid.org/0000-0001-7949-6472

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Optimization of water oxidation reaction (WOR) catalysts is critical for the development of clean energy technology based on the concept of artificial photosynthesis. Deep mechanistic insights at the molecular and electronic levels are required. Theoretically, the radical coupling (RC) mechanism should allow for a virtually barrier-less process of O-O bond formation in the WOR. This mechanism has been proposed for a number of multinuclear Fe-based water oxidation catalysts (WOCs), but its firm experimental confirmation for Fe systems is lacking. Here, we describe a RC mechanism in [(MeOH)-Fe-(Hbbpya)-μ-O-(Hbbpya)-Fe-(MeOH)]-(OTf)

Indexed as

DFTFe-based catalystHighly oxidized speciesHomogeneous catalysisRadical coupling mechanismSpectroscopic analysisWater oxidation

Identifiers

PMID40734723

DOI10.1021/aps.4c00024

PMCPMC12302070

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LicenceCC BY-NC-ND

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.