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Isolation and Ident...
Isolation and Identification of Pseudo Seven-Coordinate Ru(III) Intermediate Completing the Catalytic Cycle of Ru-bda Type of Water Oxidation Catalysts
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- Liu, Tianqi (författare)
- KTH,Organisk kemi,Molekylär elektronik, CMD,Department of Chemistry, School of Engineering Sciences in Chemistry, Biotechnology, and Health, KTH Royal Institute of Technology, Stockholm 10044
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- Li, Ge (författare)
- KTH,Tillämpad fysikalisk kemi,Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology, and Health, KTH Royal Institute of Technology, Stockholm 10691
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- Shen, Nannan (författare)
- State Key Laboratory of Radiation Medicine and Protection, School for Radiological and Interdisciplinary Sciences (RAD-X), Collaborative Innovation Center of Radiation Medicine of Jiangsu Higher Education Institutions, Soochow University, Suzhou 215123
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- Wang, Linqin (författare)
- Center of Artificial Photosynthesis for Solar Fuels, School of Science, Westlake University, Hangzhou 310024
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- Timmer, Brian (författare)
- KTH,Organisk kemi,Department of Chemistry, School of Engineering Sciences in Chemistry, Biotechnology, and Health, KTH Royal Institute of Technology, Stockholm 10044
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- Zhou, Shengyang (författare)
- Uppsala universitet,Nanoteknologi och funktionella material
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- Zhang, Biaobiao (författare)
- Center of Artificial Photosynthesis for Solar Fuels, School of Science, Westlake University, Hangzhou 310024
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- Kravchenko, Alexander (författare)
- KTH,Kemi,Department of Chemistry, School of Engineering Sciences in Chemistry, Biotechnology, and Health, KTH Royal Institute of Technology, Stockholm 10044
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- Xu, Bo (författare)
- KTH,Elektroteknisk teori och konstruktion,Department of Chemistry, School of Engineering Sciences in Chemistry, Biotechnology, and Health, KTH Royal Institute of Technology, Stockholm 10044
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- Ahlquist, Mårten S. G., 1979- (författare)
- KTH,Teoretisk kemi och biologi,Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology, and Health, KTH Royal Institute of Technology, Stockholm 10691
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- Sun, Licheng, 1962- (författare)
- KTH,Molekylär elektronik, CMD,Organisk kemi,Department of Chemistry, School of Engineering Sciences in Chemistry, Biotechnology, and Health, KTH Royal Institute of Technology, Stockholm 10044;Center of Artificial Photosynthesis for Solar Fuels, School of Science, Westlake University, Hangzhou 310024;Institute of Artificial Photosynthesis (IAP), State Key Laboratory of Fine Chemicals, Dalian University of Technology (DUT), Dalian 116024
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(creator_code:org_t)
- Chinese Chemical Society, 2022
- 2022
- Engelska.
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Ingår i: CCS Chemistry. - : Chinese Chemical Society. - 2096-5745. ; 4:7, s. 2481-2490
- Relaterad länk:
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https://doi.org/10.3...
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https://kth.diva-por... (primary) (Raw object)
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https://www.chinesec...
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https://uu.diva-port... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.3...
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https://urn.kb.se/re...
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Abstract
Ämnesord
Stäng
- Isolation of RuIII-bda (17-electron specie) complex with an aqua ligand (2-electron donor) is challenging due to violation of the 18-electron rule. Although considerable efforts have been dedicated to mechanistic studies of water oxidation by the Ru-bda family, the structure and initial formation of the RuIII-bda aqua complex are still controversial. Herein, we challenge this often overlooked step by designing a pocket-shape Ru-based complex 1. The computational studies showed that 1 possesses the crucial hydrophobicity at the RuV(O) state as well as similar probability of access of terminal O to solvent water molecules when compared with classic Ru-bda catalysts. Through characterization of single-crystal structures at the RuII and RuIII states, a pseudo seven-coordinate “ready-to-go” aqua ligand with RuIII...O distance of 3.62 Å was observed. This aqua ligand was also found to be part of a formed hydrogen-bonding network, providing a good indication of how the RuIII-OH2 complex is formed.
Ämnesord
- NATURVETENSKAP -- Kemi -- Organisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Organic Chemistry (hsv//eng)
- TEKNIK OCH TEKNOLOGIER -- Nanoteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Nano-technology (hsv//eng)
Nyckelord
- pseudo seven-coordinate
- Ru-bda
- RuIII-OH2 intermediate
- water oxidation
- water preorganization
- Engineering Science with specialization in Nanotechnology and Functional Materials
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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Till lärosätets databas
- Av författaren/redakt...
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Liu, Tianqi
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Li, Ge
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Shen, Nannan
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Wang, Linqin
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Timmer, Brian
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Zhou, Shengyang
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Zhang, Biaobiao
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Kravchenko, Alex ...
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Xu, Bo
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Ahlquist, Mårten ...
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Sun, Licheng, 19 ...
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- Om ämnet
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- NATURVETENSKAP
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NATURVETENSKAP
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och Kemi
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och Organisk kemi
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- TEKNIK OCH TEKNOLOGIER
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TEKNIK OCH TEKNO ...
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och Nanoteknik
- Artiklar i publikationen
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CCS Chemistry
- Av lärosätet
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Kungliga Tekniska Högskolan
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Uppsala universitet