Persona:
Calvino Casilda, Vanesa

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ORCID
0000-0002-2756-2164
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Calvino Casilda
Nombre de pila
Vanesa
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2017 - 20192
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Nivel de acceso: info:eu-repo/semantics/openAccess × search.filters.applied.f.itemDepartamento: Química Inorgánica y Química Técnica ×

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Mostrando 1 - 2 de 2
  • Miniatura
    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 Elena
    We 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.
  • Miniatura
    Publicación
    Porous Alkaline‑Earth Doped Multiwall Carbon Nanotubes with Base Catalytic Properties
    (Springer, 2019-05-04) Barrios‑Bermúdez, N.; Santos‑Granados, J; Cerpa‑Naranjo, A; Rojas‑Cervantes, M.L.; Moreno, Rodrigo; Calvino Casilda, Vanesa
    Alkaline-earth doped multiwall carbon nanotubes, M-CNT (M=Mg, Ca, Sr, Ba) have been prepared by a combined method of ionic exchange and precipitation. The wide characterization of the solids by nitrogen adsorption, ATR–FTIR, thermal analysis, XRD, scanning electron microscopy, transmission electron microscopy, point of zero charge (PZC), and X-ray photoelectron spectroscopy shows that the incorporation of M to the CNTs has been successfully produced. The doping with the alkaline-earth cations causes a decrease in the SBET value of the raw material, mainly due to the blockage of mesopores by the metal carbonate phase formed in most of cases. This metallic phase also contributes to the destabilization of the nanotubes by promoting their oxidation. According to PZC values, the acid character of oxidized CNTs changes to basic for the M-CNT series, Mg-CNT showing the highest PZC value. The basic properties of the catalysts have been tested in the C–C bond forming reaction of Knoevenagel, by carrying out the condensation of ethyl cyanoacetate with benzaldehyde or 4-methoxybenzaldehyde.