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  • Daniel, QuentinKTH,Organisk kemi,Sun,KTH Royal Inst Technol (author)

Rearranging from 6-to 7-coordination initiates the catalytic activity : An EPR study on a Ru-bda water oxidation catalyst

  • Article/chapterEnglish2017

Publisher, publication year, extent ...

  • Elsevier,2017
  • printrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:kth-207807
  • https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-207807URI
  • https://doi.org/10.1016/j.ccr.2017.02.019DOI
  • https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-332735URI

Supplementary language notes

  • Language:English
  • Summary in:English

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  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • QC 20170608
  • 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.

Subject headings and genre

Added entries (persons, corporate bodies, meetings, titles ...)

  • Huang, PingUppsala universitet,Molekylär biomimetik(Swepub:uu)pihua498 (author)
  • Fan, TingKTH,Teoretisk kemi och biologi,KTH Royal Inst Technol(Swepub:kth)u1gejgiz (author)
  • Wang, YingKTH,Teoretisk kemi och biologi,KTH Royal Inst Technol(Swepub:kth)u1baz51s (author)
  • Duan, LeleKTH,Kemi,KTH Royal Inst Technol(Swepub:kth)u1hcqy43 (author)
  • Wang, LeiKTH,Kemi,KTH Royal Inst Technol(Swepub:kth)u1mocvhs (author)
  • Li, Fusheng,1985-KTH,Kemi,KTH Royal Inst Technol(Swepub:kth)u16naruo (author)
  • Rinkevicius, ZilvinasKTH,Teoretisk kemi och biologi,KTH Royal Inst Technol(Swepub:kth)u1ad7nfi (author)
  • Ahlquist, Mårten S. G.,1979-Uppsala universitet,KTH,Teoretisk kemi och biologi,KTH Royal Inst Technol,Molekylär biomimetik(Swepub:uu)ststy735 (author)
  • Mamedov, FikretUppsala universitet,Molekylär biomimetik(Swepub:uu)fimam179 (author)
  • Styring, Stenbjörn (author)
  • Sun, Licheng,1962-KTH,Kemi,KTH Royal Inst Technol; Dalian Univ Technol(Swepub:kth)u1umfd9h (author)
  • KTHOrganisk kemi (creator_code:org_t)

Related titles

  • In:Coordination chemistry reviews: Elsevier346, s. 206-2150010-85451873-3840

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