Combined theoretical and spectroscopic mechanistic studies for improving activity and selectivity in heterogeneous catalysis

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dc.contributor.affiliationInstituto Universitario Mixto de Tecnología Química
dc.contributor.authorBoronat Zaragoza, Mercedes
dc.contributor.authorConcepción Heydorn, Patricia
dc.contributor.funderEuropean Commission
dc.contributor.funderMinisterio de Economía y Competitividad
dc.contributor.funderGeneralitat Valenciana
dc.date.accessioned2017-07-12T10:17:49Z
dc.date.available2017-07-12T10:17:49Z
dc.date.issued2017-05-01
dc.description.abstract[EN] By combining theoretical modelling, in situ spectroscopy and kinetic studies it is possible to understand, at the molecular level, the role that the different types of active centres co-existing on real heterogeneous catalysts play on each elementary step of the global reaction mechanism. The fundamental knowledge acquired by means of this multi-disciplinary approach in two selected reactions, the chemoselective hydrogenation of substituted nitroaromatics and the Sonogashira coupling between aryl halides and alkynes, is applied to direct the rational synthesis of more efficient industrial catalysts based on noble metal particles supported on metal oxides. (C) 2016 Elsevier B.V. All rights reserved.en_EN
dc.description.accrualMethodSes_ES
dc.description.bibliographicCitationBoronat Zaragoza, M.; Concepción Heydorn, P. (2017). Combined theoretical and spectroscopic mechanistic studies for improving activity and selectivity in heterogeneous catalysis. Catalysis Today. 285:166-178. https://doi.org/10.1016/j.cattod.2016.11.048es_ES
dc.description.sponsorshipThe authors thankMINECO (Consolider Ingenio 2010-MULTICAT CSD2009-00050 and Severo Ochoa program SEV-2012-0267), Generalitat Valenciana (PROMETEOII/2013/011 Project) and European Union (ERC-AdG-2014-671093 — SynCatMatch) for financial support.
dc.description.upvformatpfin178es_ES
dc.description.upvformatpinicio166es_ES
dc.description.volume285es_ES
dc.identifier.doi10.1016/j.cattod.2016.11.048
dc.identifier.eissn1873-4308
dc.identifier.issn0920-5861
dc.identifier.urihttps://riunet.upv.es/handle/10251/85006
dc.languageIngléses_ES
dc.publisherElsevieres_ES
dc.relation.ispartofCatalysis Todayes_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/MICINN//CSD2009-00050/ES/Desarrollo de catalizadores más eficientes para el diseño de procesos químicos sostenibles y produccion limpia de energia/es_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/EC/H2020/671093/EU/MATching zeolite SYNthesis with CATalytic activity/es_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/GVA//PROMETEOII%2F2013%2F011/ES/Catalizadores moleculares y supramoleculares altamente selectivos, estables y energéticamente eficientes en reacciones químicas (PROMETEO)/es_ES
dc.relation.projectIDinfo:eu-repo/grantAgreement/MINECO//SEV-2012-0267/
dc.relation.publisherversionhttp://doi.org/10.1016/j.cattod.2016.11.048es_ES
dc.relation.senia328463es_ES
dc.rightsReserva de todos los derechoses_ES
dc.rights.accessRightsCerradoes_ES
dc.subjectDFTes_ES
dc.subjectIR spectroscopyes_ES
dc.subjectKineticses_ES
dc.subjectCatalyst designes_ES
dc.subjectHydrogenationes_ES
dc.subjectC C bond forming reactionses_ES
dc.titleCombined theoretical and spectroscopic mechanistic studies for improving activity and selectivity in heterogeneous catalysises_ES
dc.typeArtículoes_ES
dc.type.versioninfo:eu-repo/semantics/publishedVersiones_ES
dspace.entity.typePublication
person.identifier249793
person.identifier10101
person.identifier.orcid0000-0002-6211-5888
person.identifier.orcid0000-0003-2058-3103
relation.isAuthorOfPublicationa839a921-1676-42d7-90a2-478f46f2fe90
relation.isAuthorOfPublicationa5efad88-f0f1-48c4-b5cc-8577ac1a08d9
relation.isAuthorOfPublication.latestForDiscoverya839a921-1676-42d7-90a2-478f46f2fe90
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