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Title: Mechanism of water oxidation by [Ru(bda)(L)₂]: The return of the "blue dimer"

Abstract

We describe here a combined solution-surface-DFT calculations study for complexes of the type [Ru(bda)(L)₂] including X-ray structure of intermediates, their reactivity, as well as pH-dependent electrochemistry and spectroelectrochemistry. These studies shed light on the mechanism of water oxidation by [Ru(bda)(L)₂], revealing key features unavailable from solution studies with sacrificial oxidants.

Authors:
 [1];  [1];  [2];  [1];  [1]
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  1. Brookhaven National Lab. (BNL), Upton, NY (United States)
  2. Baruch College, New York, NY (United States)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1183859
Report Number(s):
BNL-107984-2015-JA
Journal ID: ISSN 1359-7345; CHCOFS; R&D Project: CO026; KC0304030
Grant/Contract Number:  
SC00112704
Resource Type:
Accepted Manuscript
Journal Name:
ChemComm
Additional Journal Information:
Journal Volume: 51; Journal Issue: 19; Journal ID: ISSN 1359-7345
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Concepcion, Javier J., Zhong, Diane K., Szalda, David J., Muckerman, James T., and Fujita, Etsuko. Mechanism of water oxidation by [Ru(bda)(L)₂]: The return of the "blue dimer". United States: N. p., 2015. Web. doi:10.1039/c4cc07968j.
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Concepcion, Javier J., Zhong, Diane K., Szalda, David J., Muckerman, James T., & Fujita, Etsuko. Mechanism of water oxidation by [Ru(bda)(L)₂]: The return of the "blue dimer". United States. https://doi.org/10.1039/c4cc07968j
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Concepcion, Javier J., Zhong, Diane K., Szalda, David J., Muckerman, James T., and Fujita, Etsuko. Thu . "Mechanism of water oxidation by [Ru(bda)(L)₂]: The return of the "blue dimer"". United States. https://doi.org/10.1039/c4cc07968j. https://www.osti.gov/servlets/purl/1183859.
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@article{osti_1183859,
title = {Mechanism of water oxidation by [Ru(bda)(L)₂]: The return of the "blue dimer"},
author = {Concepcion, Javier J. and Zhong, Diane K. and Szalda, David J. and Muckerman, James T. and Fujita, Etsuko},
abstractNote = {We describe here a combined solution-surface-DFT calculations study for complexes of the type [Ru(bda)(L)₂] including X-ray structure of intermediates, their reactivity, as well as pH-dependent electrochemistry and spectroelectrochemistry. These studies shed light on the mechanism of water oxidation by [Ru(bda)(L)₂], revealing key features unavailable from solution studies with sacrificial oxidants.},
doi = {10.1039/c4cc07968j},
journal = {ChemComm},
number = 19,
volume = 51,
place = {United States},
year = {Thu Feb 05 00:00:00 EST 2015},
month = {Thu Feb 05 00:00:00 EST 2015}
}
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Journal Article:
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https://doi.org/10.1039/c4cc07968j
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Cited by: 62 works
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Figures / Tables:

Chart 1.A Chart 1.A: Structures of [RuII(bda)(L)2] (L = pic, isq, and P2-py). See ESI for synthetic details.
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    Hybrid Photoelectrochemical Water Splitting Systems: From Interface Design to System Assembly
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      Figures / Tables found in this record:

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