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

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

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dc.contributor.author Boronat Zaragoza, Mercedes es_ES
dc.contributor.author Concepción Heydorn, Patricia es_ES
dc.date.accessioned 2017-07-12T10:17:49Z
dc.date.available 2017-07-12T10:17:49Z
dc.date.issued 2017-05-01
dc.identifier.issn 0920-5861
dc.identifier.uri http://hdl.handle.net/10251/85006
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. es_ES
dc.description.sponsorship The 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.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation.ispartof Catalysis Today es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject DFT es_ES
dc.subject IR spectroscopy es_ES
dc.subject Kinetics es_ES
dc.subject Catalyst design es_ES
dc.subject Hydrogenation es_ES
dc.subject C C bond forming reactions es_ES
dc.title Combined theoretical and spectroscopic mechanistic studies for improving activity and selectivity in heterogeneous catalysis es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.cattod.2016.11.048
dc.relation.projectID info: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.projectID info:eu-repo/grantAgreement/EC/H2020/671093/EU/MATching zeolite SYNthesis with CATalytic activity/ es_ES
dc.relation.projectID info: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.projectID info:eu-repo/grantAgreement/MINECO//SEV-2012-0267/
dc.rights.accessRights Cerrado es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química es_ES
dc.description.bibliographicCitation Boronat 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.2016.11.048 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://doi.org/10.1016/j.cattod.2016.11.048 es_ES
dc.description.upvformatpinicio 166 es_ES
dc.description.upvformatpfin 178 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 285 es_ES
dc.relation.senia 328463 es_ES
dc.identifier.eissn 1873-4308
dc.contributor.funder European Commission
dc.contributor.funder Ministerio de Economía y Competitividad
dc.contributor.funder Generalitat Valenciana


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