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Rearranging from 6-to 7-coordination initiates the catalytic activity: An EPR study on a Ru-bda water oxidation catalyst
KTH Royal Inst Technol.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Molecular Biomimetics.
KTH Royal Inst Technol.
KTH Royal Inst Technol.
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2017 (English)In: Coordination chemistry reviews, ISSN 0010-8545, E-ISSN 1873-3840, Vol. 346, 206-215 p.Article, review/survey (Refereed) Published
Abstract [en]

The coordination of a substrate water molecule on a metal centered catalyst for water oxidation is a crucial step involving the reorganization of the ligand sphere. This process can occur by substituting a coordinated ligand with a water molecule or via a direct coordination of water onto an open site. In 2009, we reported an efficient ruthenium-based molecular catalyst, Ru-bda, for water oxidation. Despite the impressive improvement in catalytic activity of this type of catalyst over the past years, a lack of understanding of the water coordination still remains. Herein, we report our EPR and DFT studies on Ru-bda (triethylammonium 3-pyridine sulfonate)(2) (1) at its Ru-III oxidation state, which is the initial state in the catalytic cycle for the O-O bond formation. Our investigation suggests that at this III-state, there is already a rearrangement in the ligand sphere where the coordination of a water molecule at the 7th position (open site) takes place under acidic conditions (pH = 1.0) to form a rare 7-coordinated Ru-III species.

Place, publisher, year, edition, pages
ELSEVIER SCIENCE SA , 2017. Vol. 346, 206-215 p.
Keyword [en]
Water oxidation, EPR, Ruthenium, Coordination, DFT
National Category
Chemical Sciences
Identifiers
URN: urn:nbn:se:uu:diva-332735DOI: 10.1016/j.ccr.2017.02.019ISI: 000402873900014OAI: oai:DiVA.org:uu-332735DiVA: diva2:1157254
Funder
Swedish Energy AgencyKnut and Alice Wallenberg FoundationSwedish Research Council
Available from: 2017-11-15 Created: 2017-11-15 Last updated: 2017-12-07Bibliographically approved

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Huang, PingMamedov, FikretStyring, Stenbjörn

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