101607 20210902121803.0 doi 10.1016/j.jorganchem.2020.121334 sideral 118129 ART-2020-118129 eng (orcid)0000-0001-6675-7450 Sánchez-Page, B. Influence of graphene sheet properties as supports of iridium-based N-heterocyclic carbene hybrid materials for water oxidation electrocatalysis 2020 Access copy available to the general public Unrestricted The effect of the structural properties of graphene materials on the local structure of –OH anchored Ir(I)–NHC complexes is herein investigated. For that, two partially reduced graphene oxides exhibiting different sheet properties due to an adequate selection of the crystalline characteristics of their parent graphite were used. The main differences among them were the size of Csp2 domains within their graphenic layers and the distribution of functional groups at the basal planes and edges. Anchoring of N-methylimidazolium moieties through the graphene –OH functional groups and subsequent formation of the Ir(I)–NHC complexes resulted in graphene-based hybrid materials. The structural differences of the support have an influence in the interaction of the supported iridium compounds with the graphene sheet. The oxygenated functional groups in the material with a smaller graphene sheet are closer leaving larger Csp2 domains in the graphene layer, favoring their interaction with the supported iridium atoms therefore displacing the chlorido ligand from the first coordination shell. In contrast, the hybrid material in which the distribution of the oxygenated functional groups within the basal planes of the graphenic layer is more homogeneous shows partial chlorido displacement. This fact has an influence on the electrocatalytic performance of the iridium-based hybrid materials as water oxidation catalysts (WOCs), exhibiting improved catalytic activity the catalyst having coordinated chlorido ligands. info:eu-repo/grantAgreement/ES/DGA-FEDER/Construyendo Europa desde Aragón info:eu-repo/grantAgreement/ES/DGA-FSE/E12-20R info:eu-repo/grantAgreement/ES/DGA-FSE/E42-17R info:eu-repo/grantAgreement/ES/MICINN-FEDER/CTQ2016-75884-P info:eu-repo/grantAgreement/ES/MICINN-FEDER/RTI2018-098537-C22 info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 2.369 2020 CHEMISTRY, INORGANIC & NUCLEAR 22 / 45 = 0.489 2020 Q2 T2 CHEMISTRY, ORGANIC 32 / 57 = 0.561 2020 Q3 T2 0.483 2020 Biochemistry 2020 Q2 Inorganic Chemistry 2020 Q2 Physical and Theoretical Chemistry 2020 Q2 Organic Chemistry 2020 Q2 Materials Chemistry 2020 Q2 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Pérez-Mas, A.M. González-Ingelmo, M. Fernández, L. González, Z. (orcid)0000-0002-0545-9107 Jiménez, M.V. Universidad de Zaragoza (orcid)0000-0002-3327-0918 Pérez-Torrente, J.J. Universidad de Zaragoza (orcid)0000-0002-9706-3272 Blasco, J. Universidad de Zaragoza (orcid)0000-0002-9029-1977 Subías, G. Universidad de Zaragoza Álvarez, P. Granda, M. Menéndez, R. 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica 2003 395 Universidad de Zaragoza Dpto. Física Materia Condensa. Área Física Materia Condensada 919 (2020), 332884 [8 pp] J. organomet. chem. Journal of Organometallic Chemistry 0022-328X 516931 http://zaguan.unizar.es/record/101607/files/texto_completo.pdf Postprint 1234505 http://zaguan.unizar.es/record/101607/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:101607 articulos driver 2021-09-02-09:56:39 ARTICLE