Carboxylate and coordination influence on the formation of an active Ru

Jamal El-Abid, Kevin M Dorst, Andrew K Inge, Oscar Verho, Varun Kundi, Priyank V Kumar, Anders Thapper, Biswanath Das

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Article in Scientific reports, 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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5 · Who and what money

Authors and funding

8 authors.

Jamal El-AbidDepartment of Organic Chemistry, Arrhenius Laboratory Stockholm University, Svante Arrhenius Väg 16C, 10691, Stockholm, Sweden.

Kevin M DorstDepartment of Organic Chemistry, Arrhenius Laboratory Stockholm University, Svante Arrhenius Väg 16C, 10691, Stockholm, Sweden.

Andrew K IngeDepartment of Materials and Environmental Chemistry, Stockholm University, Svante Arrhenius Väg 16C, 106 91, Stockholm, Sweden.

Oscar VerhoDepartment of Medicinal Chemistry, Biomedicinskt Centrum BMC, Uppsala University, 75123, Uppsala, Sweden.

Varun KundiSchool of Chemical Engineering, The University of New South Wales, Sydney, NSW, 2052, Australia.

Priyank V KumarSchool of Chemical Engineering, The University of New South Wales, Sydney, NSW, 2052, Australia.

Anders ThapperDepartment of Chemistry-Ångström Laboratory, Uppsala University, P.O. Box 523, 75120, Uppsala, Sweden. anders.thapper@kemi.uu.se.

Biswanath DasDepartment of Organic Chemistry, Arrhenius Laboratory Stockholm University, Svante Arrhenius Väg 16C, 10691, Stockholm, Sweden. biswanath.das@su.se.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Understanding the structure of Ru(V)-oxo species is crucial for designing novel catalysts for sustainable energy applications, such as water splitting for green hydrogen production. This study reports the EPR detection of a Ru(V)-oxo intermediate stabilized by terpyridine and phenanthroline carboxylate ligands. The interaction between the carboxylate group and the ruthenium center, along with PCET-dependent hemilability under oxidative conditions, plays a critical role in achieving the high-valent state. Subtle changes in the coordination environment around the central metal also proved to be essential. Low-temperature NMR, high-resolution mass spectrometry, UV-Vis spectroscopy, and density functional theory calculations support these findings.

Identifiers

PMID39966614

DOI10.1038/s41598-025-89062-5

PMCPMC11836329

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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.