Effect of the C-alpha substitution on the ketonic decarboxylation of carboxylic acids over m-ZrO2: the role of entropy

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dc.contributor.affiliationInstituto Universitario Mixto de Tecnología Química
dc.contributor.authorOliver-Tomás, Borjaes_ES
dc.contributor.authorGonell-Gómez, Francisco
dc.contributor.authorPulido, Angeleses_ES
dc.contributor.authorRenz, Michael
dc.contributor.authorBoronat Zaragoza, Mercedes
dc.contributor.funderMinisterio de Economía y Competitividad
dc.contributor.funderGeneralitat Valenciana
dc.contributor.funderConsejo Superior de Investigaciones Científicas
dc.date.accessioned2017-05-26T10:44:59Z
dc.date.available2017-05-26T10:44:59Z
dc.date.issued2016
dc.description.abstract[EN] The kinetics of the ketonic decarboxylation of linear and branched carboxylic acids over m-ZrO2 as a catalyst has been investigated. The same apparent activation energy is experimentally determined for the ketonic decarboxylation of both linear pentanoic and branched 2-methyl butanoic acids, while the change in entropy for the rate-determining step differs by nearly 50 kJ mol(-1). These results show that the difference in reactivity between linear and branched acids is due to entropic effects, and is related to the probability of finding the reactant molecules adsorbed and activated in a suitable way on the catalyst surface.en_EN
dc.description.accrualMethodSes_ES
dc.description.bibliographicCitationOliver-Tomás, B.; Gonell-Gómez, F.; Pulido, A.; Renz, M.; Boronat Zaragoza, M. (2016). Effect of the C-alpha substitution on the ketonic decarboxylation of carboxylic acids over m-ZrO2: the role of entropy. Catalysis Science and Technology. 6(14):5561-5566. https://doi.org/10.1039/c6cy00395hes_ES
dc.description.issue14es_ES
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dc.description.sponsorshipThe authors thank MINECO (Consolider Ingenio 2010-MULTICAT, CSD2009-00050 and Severo Ochoa program, SEV-2012-0267), Generalitat Valenciana (PROMETEOII/2013/011 Project), and the Spanish National Research Council (CSIC, Es 2010RU0108) for financial support. Red Espanola de Supercomputacion (RES) and Centre de Calcul de la Universitat de Valencia are gratefully acknowledged for computational facilities and technical assistance. A. P., F. G. and B. O.-T. thank MINECO (Juan de la Cierva and FPU Programme) and CSIC (JAE Programme) for their fellowships, respectively. M. R. is grateful to the Generalitat Valenciana for a BEST 2015 fellowship.en_EN
dc.description.upvformatpfin5566es_ES
dc.description.upvformatpinicio5561es_ES
dc.description.volume6es_ES
dc.identifier.doi10.1039/c6cy00395h
dc.identifier.eissn2044-4761
dc.identifier.issn2044-4753
dc.identifier.urihttps://riunet.upv.es/handle/10251/81820
dc.languageIngléses_ES
dc.publisherRoyal Society of Chemistryes_ES
dc.relation.ispartofCatalysis Science and Technologyes_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/MINECO//SEV-2012-0267/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/CSIC//2010RU0108/es_ES
dc.relation.publisherversionhttp://dx.doi.org/10.1039/c6cy00395hes_ES
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dc.relation.senia328380es_ES
dc.rightsReserva de todos los derechoses_ES
dc.rights.accessRightsAbiertoes_ES
dc.subjectCatalytic ketonizationes_ES
dc.subjectAcetic-acides_ES
dc.subjectChemicales_ES
dc.subjectBiomasses_ES
dc.subjectCondensationes_ES
dc.subjectMechanismes_ES
dc.subjectZirconiaes_ES
dc.subjectOxideses_ES
dc.subjectFuelses_ES
dc.subject.classificationQUIMICA INORGANICAes_ES
dc.subject.classificationQUIMICA ANALITICAes_ES
dc.titleEffect of the C-alpha substitution on the ketonic decarboxylation of carboxylic acids over m-ZrO2: the role of entropyes_ES
dc.typeArtículoes_ES
dc.type.versioninfo:eu-repo/semantics/publishedVersiones_ES
dspace.entity.typePublication
person.identifier457083
person.identifier200963
person.identifier249793
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person.identifier.orcid0000-0002-6211-5888
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