Persona: Pérez Mayoral, María Elena
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0000-0003-4554-141X
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Pérez Mayoral
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María Elena
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Publicación Metal-free synthesis of quinolines catalyzed by carbon aerogels: Influence of the porous texture and surface chemistry(Elsevier, 2017-04-17) Godino Ojer, Marina; Soriano, Elena; Calvino Casilda, Vanesa; Maldonado-Hódar, Francisco J.; Pérez Mayoral, María ElenaWe report herein an experimental and theoretical study of the Friedländer reaction, from 2-amino-5-chlorobenzaldehyde and ethyl acetoacetate, catalyzed by free-metal nanocatalysts based on carbon aerogels, to afford quinoline 3a. The developed methodology implies the combined use of carbon aerogels with solvent-free technologies under MW irradiation yielding the corresponding quinoline with moderated yield (66%) in only 5 min of reaction time. Our results demonstrated that the reactivity of the samples upon MW irradiation is strongly dependent on the porosity and surface chemistry of the carbon aerogels, the most active catalytic species being the most acidic oxygenated functional groups, –CO2H groups originated by oxidant treatment, or even in situ by hydrolysis of –CO–O–CO–, over the carbon surface. The theoretical investigation of the reaction mechanism, by using computational methods, demonstrated that the synthesis of quinoline 3a in the absence or in the presence of carbon aerogels takes place by aldolization, subsequent heterocyclization and finally double dehydration. Relatively strong π-π stacking interactions between carbon support and reagents could be behind of the observed catalytic performance also extended for the oxygenated models. Furthermore, the concentration of –CO2H groups over the carbon surface is a key factor favoring each step of the reaction but acting as individual catalytic sites.Publicación Efemérides : 1960, Premio Nobel al uso del carbono-14 como medidor del tiempo(Universidad Nacional de Educación a Distancia (España). Facultad de Ciencias, 2010-01-01) López Sanz, Jesús; Calvino Casilda, Vanesa; Pérez Mayoral, María Elena; López Peinado, Antonio JoséPublicación Colaboraciones en Química: Técnicas luminiscentes en criminalística(Universidad Nacional de Educación a Distancia (España). Facultad de Ciencias, 2015-01-01) González Rodal, Daniel; Godino Ojer, Marina; Smuszkiewicz, Agata; López Peinado, Antonio José; Calvino Casilda, Vanesa; Pérez Mayoral, María ElenaPublicación Enseñanza y divulgación de las Ciencias: Catálisis y Sociedad: pasado, presente y futuro(Universidad Nacional de Educación a Distancia (España). Facultad de Ciencias, 2014-01-01) Godino Ojer, Marina; González Rodal, Daniel; Calvino Casilda, Vanesa; Pérez Mayoral, María Elena