Carboxylate and coordination influence on the formation of an active RuV Oxo species
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...
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| Format: | Article |
| Language: | English |
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Nature Portfolio
2025-02-01
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| Series: | Scientific Reports |
| Online Access: | https://doi.org/10.1038/s41598-025-89062-5 |
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| author | Jamal El-Abid Kevin M. Dorst Andrew K. Inge Oscar Verho Varun Kundi Priyank V. Kumar Anders Thapper Biswanath Das |
| author_facet | Jamal El-Abid Kevin M. Dorst Andrew K. Inge Oscar Verho Varun Kundi Priyank V. Kumar Anders Thapper Biswanath Das |
| author_sort | Jamal El-Abid |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-e95a12e9d3c340e68f0f67f571bc8ee9 |
| institution | DOAJ |
| issn | 2045-2322 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Scientific Reports |
| spelling | doaj-art-e95a12e9d3c340e68f0f67f571bc8ee92025-08-20T03:10:55ZengNature PortfolioScientific Reports2045-23222025-02-011511810.1038/s41598-025-89062-5Carboxylate and coordination influence on the formation of an active RuV Oxo speciesJamal El-Abid0Kevin M. Dorst1Andrew K. Inge2Oscar Verho3Varun Kundi4Priyank V. Kumar5Anders Thapper6Biswanath Das7Department of Organic Chemistry, Arrhenius Laboratory Stockholm UniversityDepartment of Organic Chemistry, Arrhenius Laboratory Stockholm UniversityDepartment of Materials and Environmental Chemistry, Stockholm UniversityDepartment of Medicinal Chemistry, Biomedicinskt Centrum BMC, Uppsala UniversitySchool of Chemical Engineering, The University of New South WalesSchool of Chemical Engineering, The University of New South WalesDepartment of Chemistry–Ångström Laboratory, Uppsala UniversityDepartment of Organic Chemistry, Arrhenius Laboratory Stockholm UniversityAbstract 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.https://doi.org/10.1038/s41598-025-89062-5 |
| spellingShingle | Jamal El-Abid Kevin M. Dorst Andrew K. Inge Oscar Verho Varun Kundi Priyank V. Kumar Anders Thapper Biswanath Das Carboxylate and coordination influence on the formation of an active RuV Oxo species Scientific Reports |
| title | Carboxylate and coordination influence on the formation of an active RuV Oxo species |
| title_full | Carboxylate and coordination influence on the formation of an active RuV Oxo species |
| title_fullStr | Carboxylate and coordination influence on the formation of an active RuV Oxo species |
| title_full_unstemmed | Carboxylate and coordination influence on the formation of an active RuV Oxo species |
| title_short | Carboxylate and coordination influence on the formation of an active RuV Oxo species |
| title_sort | carboxylate and coordination influence on the formation of an active ruv oxo species |
| url | https://doi.org/10.1038/s41598-025-89062-5 |
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