Supramolecular water oxidation with rubda-based catalysts
dc.contributor.author
dc.date.accessioned
2016-12-01T11:56:04Z
dc.date.available
2016-12-01T11:56:04Z
dc.date.issued
2014-12-22
dc.identifier.issn
0947-6539
dc.identifier.uri
dc.description.abstract
KGaA, Weinheim.Extremely slow and extremely fast new water oxidation catalysts based on the Rubda (bda = 2,2′-bipyri-dine-6,6′-dicarboxylate) systems are reported with turnover frequencies in the range of 1 and 900 cycless"1, respectively. Detailed analyses of the main factors involved in the water oxidation reaction have been carried out and are based on a combination of reactivity tests, electrochemical experiments, and DFT calculations. These analyses give a convergent interpretation that generates a solid understanding of the main factors involved in the water oxidation reaction, which in turn allows the design of catalysts with very low energy barriers in all the steps involved in the water oxidation catalytic cycle. We show that for this type of system p-stacking interactions are the key factors that influence reactivity and by adequately controlling them we can generate exceptionally fast water oxidation catalysts
dc.description.sponsorship
A.P. thanks the Spanish MINECO for a Ram ón y Cajal contract (RYC-2009–05226) and European Commission for a Career Integration Grant (CIG09-GA-2011–293900)
dc.format.mimetype
application/pdf
dc.language.iso
eng
dc.publisher
Wiley
dc.relation
info:eu-repo/grantAgreement/MICINN//RYC-2009-05226/ES/RYC-2009-05226/
dc.relation.isformatof
Reproducció digital del document publicat a: http://dx.doi.org/10.1002/chem.201405144
dc.relation.ispartof
© Chemistry - A European Journal, 2014, vol. 20, núm. 52, p. 17282-17286
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Articles publicats (D-Q)
dc.rights
Tots els drets reservats
dc.subject
dc.title
Supramolecular water oxidation with rubda-based catalysts
dc.type
info:eu-repo/semantics/article
dc.rights.accessRights
info:eu-repo/semantics/embargoedAccess
dc.embargo.terms
Cap
dc.date.embargoEndDate
info:eu-repo/date/embargoEnd/2026-01-01
dc.relation.projectID
info:eu-repo/grantAgreement/EC/FP7/293900/EU/Ab initio Statics and Molecular Dynamics Simulation of Olefin Metathesis Catalysts for pharmacological purposes/COMPUTEDRUG
dc.type.version
info:eu-repo/semantics/publishedVersion
dc.identifier.doi
dc.identifier.idgrec
024300
dc.contributor.funder
dc.relation.FundingProgramme
dc.relation.ProjectAcronym
dc.identifier.eissn
1521-3765