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Rearranging from 6-...
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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 ...
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Elsevier,2017
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printrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:kth-207807
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https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-207807URI
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https://doi.org/10.1016/j.ccr.2017.02.019DOI
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-332735URI
Supplementary language notes
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Language:English
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Summary in:English
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Subject category:ref swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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QC 20170608
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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.
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Added entries (persons, corporate bodies, meetings, titles ...)
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Huang, PingUppsala universitet,Molekylär biomimetik(Swepub:uu)pihua498
(author)
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Fan, TingKTH,Teoretisk kemi och biologi,KTH Royal Inst Technol(Swepub:kth)u1gejgiz
(author)
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Wang, YingKTH,Teoretisk kemi och biologi,KTH Royal Inst Technol(Swepub:kth)u1baz51s
(author)
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Duan, LeleKTH,Kemi,KTH Royal Inst Technol(Swepub:kth)u1hcqy43
(author)
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Wang, LeiKTH,Kemi,KTH Royal Inst Technol(Swepub:kth)u1mocvhs
(author)
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Li, Fusheng,1985-KTH,Kemi,KTH Royal Inst Technol(Swepub:kth)u16naruo
(author)
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Rinkevicius, ZilvinasKTH,Teoretisk kemi och biologi,KTH Royal Inst Technol(Swepub:kth)u1ad7nfi
(author)
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Ahlquist, Mårten S. G.,1979-Uppsala universitet,KTH,Teoretisk kemi och biologi,KTH Royal Inst Technol,Molekylär biomimetik(Swepub:uu)ststy735
(author)
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Mamedov, FikretUppsala universitet,Molekylär biomimetik(Swepub:uu)fimam179
(author)
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Styring, Stenbjörn
(author)
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Sun, Licheng,1962-KTH,Kemi,KTH Royal Inst Technol; Dalian Univ Technol(Swepub:kth)u1umfd9h
(author)
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KTHOrganisk kemi
(creator_code:org_t)
Related titles
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In:Coordination chemistry reviews: Elsevier346, s. 206-2150010-85451873-3840
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Daniel, Quentin
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Huang, Ping
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Fan, Ting
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Wang, Ying
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Duan, Lele
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Wang, Lei
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Li, Fusheng, 198 ...
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- About the subject
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NATURAL SCIENCES
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NATURAL SCIENCES
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Coordination che ...
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Royal Institute of Technology
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Uppsala University