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Ketonic decarboxylation reaction mechanism: A combined experimental and DFT study

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Ketonic decarboxylation reaction mechanism: A combined experimental and DFT study

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Pulido Junquera, MA.; Oliver Tomás, B.; Renz, M.; Boronat Zaragoza, M.; Corma Canós, A. (2013). Ketonic decarboxylation reaction mechanism: A combined experimental and DFT study. ChemSusChem. 6(1):141-151. https://doi.org/10.1002/cssc.201200419

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/61529

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Title: Ketonic decarboxylation reaction mechanism: A combined experimental and DFT study
Author: Pulido Junquera, Maria Angeles Oliver Tomás, Borja Renz, Michael Boronat Zaragoza, Mercedes Corma Canós, Avelino
UPV Unit: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Universitat Politècnica de València. Departamento de Química - Departament de Química
Issued date:
Abstract:
The ketonic decarboxylation of carboxylic acids has been carried out experimentally and studied theoretically by DFT calculations. In the experiments, monoclinic zirconia was identified as a good catalyst, giving high ...[+]
Subjects: ab initio calculations , biomass , carboxylic acids , heterogeneous catalysis , ketones
Copyrigths: Cerrado
Source:
ChemSusChem. (issn: 1864-5631 ) (eissn: 1864-564X )
DOI: 10.1002/cssc.201200419
Publisher:
Wiley-VCH Verlag
Publisher version: http://dx.doi.org/10.1002/cssc.201200419
Project ID:
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/ /
info:eu-repo/grantAgreement/CSIC//2010RU0108/
info:eu-repo/grantAgreement/MICINN//CTQ2011-27550/ES/TRANSFORMACION CATALITICA DE BIOMASA EN DIESEL Y EN PRODUCTOS QUIMICOS/
info:eu-repo/grantAgreement/MINECO//MAT2011-28009/ES/CATALIZADORES MONO- Y MULTIFUNCIONALES BASADOS EN NANOPARTICULAS METALICAS DIRIGIDOS A TRANSFORMACIONES SECUENCIALES O REACCIONES EN CASCADA/
Thanks:
We thank MINECO (MAT2011-28009, Consolider Ingenio 2010-MULTICAT, CSD2009-00050 and CTQ2011-27550) and the Spanish National Research Council (CSIC, Es 2010RU0108) for funding. Red Espanola de Supercomputacion (RES) and ...[+]
Type: Artículo

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