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Listar por Patrocinador "Ministerio Ciencia, Innovación y Universidades"

Mostrando ítems 1-16 de 16

Combined Spectroscopic and Computational Study of Nitrobenzene Activation on Non-Noble Metals-Based Mono- and Bimetallic Catalysts

Millán-Cabrera, Reisel; Soriano Rodríguez, Mª Dolores; Cerdá-Moreno, Cristina; Boronat Zaragoza, Mercedes; Concepción Heydorn, Patricia (MDPI AG, 2021-08)

[EN] In this paper, substituted anilines are industrially obtained by direct hydrogenation of nitroaromatic compounds with molecular H-2 using metals as catalysts. Previous theoretical studies proposed that the mechanism ...
Confined Pt-1(1+) Water Clusters in a MOF Catalyze the Low-Temperature Water-Gas Shift Reaction with both CO2 Oxygen Atoms Coming from Water

Rivero-Crespo, Miguel Ángel; Mon, Marta; Ferrando-Soria, Jesus; Lopes, Christian W.; Boronat Zaragoza, Mercedes; Leyva Perez, Antonio; Corma Canós, Avelino; Hernandez-Garrido, Juan carlos; López-Haro, Miguel; Calvino, Jose J.; Ramos-Fernandez, Enrique V.; Armentano, Donatella; Pardo, Emilio (John Wiley & Sons, 2018-12-21)

[EN] The synthesis and reactivity of single metal atoms in a low-valence state bound to just water, rather than to organic ligands or surfaces, is a major experimental challenge. Herein, we show a gram-scale wet synthesis ...
Conversion of levulinic acid to gamma-valerolactone over Zr-containing metal-organic frameworks: Evidencing the role of Lewis and Bronsted acid sites

Guarinos, J.M.; Cirujano, F.G.; Rapeyko, Anastasia; Llabrés i Xamena, Francesc Xavier (Elsevier, 2021-10)

[EN] Zr-containing UiO-66 and MOF-808 are evaluated for converting levulinic acid (LA) into gamma-valerolactone (GVL) through various routes: (i) Step-wise esterification of LA to n-butyl levulinate (nBuL) and Meerwein-P ...
Deciphering the photobehaviour of ensemble and single crystals of Zr-based ITQ MOF composites

Caballero-Mancebo, Elena; Moreno Rodríguez, José María; Corma Canós, Avelino; DÍAZ MORALES, URBANO MANUEL; Cohen, Boiko; Douhal, Abderrazzak (Elsevier, 2021-01-01)

[EN] Understanding the interactions that govern the photophysical behaviour of Metal-organic frameworks (MOFs) and their composites is paramount for their photochemical and photonic applications. In this work, we report ...
Design and Synthesis of the Active Site Environment in Zeolite Catalysts for Selectively Manipulating Mechanistic Pathways

Li, Chengeng; Ferri-Vicedo, Pau; Paris, Cecilia; Moliner Marin, Manuel; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (American Chemical Society, 2021-07-21)

[EN] By combining kinetics and theoretical calculations, we show here the benefits of going beyond the concept of static localized and defined active sites on solid catalysts, into a system that globally and dynamically ...
Ferrierite and Its Delaminated Forms Modified with Copper as Effective Catalysts for NH3-SCO Process

Swies, Aneta; Rutkowska, Malgorzata; Kowalczyk, Andrzej; DÍAZ MORALES, URBANO MANUEL; Palomares Gimeno, Antonio Eduardo; Chmielarz, Lucjan (MDPI AG, 2020-11)

[EN] Ferrierites and their delaminated forms (ITQ-6), containing aluminum or titanium in the zeolite framework, were synthetized and modified with copper by an ion-exchange method. The obtained samples were characterized ...
How does the Surface of Al-ITQ-HB 2D-MOF Condition the Intermolecular Interactions of an Adsorbed Organic Molecule?

Caballero-Mancebo, Elena; Moreno Rodríguez, José María; Corma Canós, Avelino; DÍAZ MORALES, URBANO MANUEL; Cohen, Boiko; Douhal, Abderrazzak (American Chemical Society, 2018-06-13)

[EN] In this work, we unravel how the two-dimensional Al-ITQ-4-heptylbenzoic acid (HB) metal-organic framework (MOF) changes the interactions of Nile red (NR) adsorbed on its surface. Time-resolved emission experiments ...
In-Situ-Generated Active Hf-hydride in Zeolites for the Tandem N-Alkylation of Amines with Benzyl Alcohol

Rojas-Buzo, Sergio; Concepción Heydorn, Patricia; Corma Canós, Avelino; Moliner Marin, Manuel; Boronat Zaragoza, Mercedes (American Chemical Society, 2021-07-02)

[EN] In this work, we have studied the catalytic activity of different silicates (MFI, MCM-41, and Beta) containing Lewis acid sites (including Sn, Ti, Zr, and Hf) for the tandem N-alkylation reaction of aniline with benzyl ...
One-Step Chemo-, Regio- and Stereoselective Reduction of Ketosteroids to Hydroxysteroids over Zr-Containing MOF-808 Metal-Organic Frameworks

Mautschke, H.-H.; Llabrés i Xamena, Francesc Xavier (John Wiley & Sons, 2021-07-21)

[EN] Zr-containing MOF-808 is a very promising heterogeneous catalyst for the selective reduction of ketosteroids to the corresponding hydroxysteroids through a Meerwein-Ponndorf-Verley (MPV) reaction. Interestingly, the ...
Regioirregular and catalytic Mizoroki-Heck reactions

Garnes-Portoles, Francisco; Greco, Rossella; Oliver-Meseguer, Judit; Castellanos-Soriano, Jorge; Jiménez Molero, María Consuelo; Lopez-Haro, Miguel; Hernández-Garrido, Juan Carlos; Boronat Zaragoza, Mercedes; Pérez-Ruiz, Raúl; Leyva Perez, Antonio (Nature Publishing Group, 2021-04)

[EN] The palladium-catalysed cross-coupling reaction between alkenes and aryl halides (the Mizoroki-Heck reaction) is a powerful methodology to construct new carbon-carbon bonds. However, the success of this reaction is ...
Tailoring Lewis/Bronsted acid properties of MOF nodes via hydrothermal and solvothermal synthesis: simple approach with exceptional catalytic implications

Rojas-Buzo, Sergio; Bohigues, Benjamin; Lopes, Christian W.; Meira, Débora M.; Boronat Zaragoza, Mercedes; Moliner Marin, Manuel; Corma Canós, Avelino (The Royal Society of Chemistry, 2021-08-07)

[EN] The Lewis/Bronsted catalytic properties of the Metal-Organic Framework (MOF) nodes can be tuned by simply controlling the solvent employed in the synthetic procedure. In this work, we demonstrate that Hf-MOF-808 can ...
The Crucial Role of Cluster Morphology on the Epoxidation of Propene Catalyzed by Cu-5: A DFT Study

Fernández Villanueva, Estefanía; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (American Chemical Society, 2020-10-01)

[EN] The selective oxidation of propene to propene oxide (PO) is an industrially relevant and still challenging reaction that requires the design of highly specific catalysts able to improve simultaneously activity and ...
The Limits of the Confinement Effect Associated to Cage Topology on the Control of the MTO Selectivity

Ferri-Vicedo, Pau; Li, Chengeng; Paris, Cecilia; Rodríguez-Fernández, Aida; Moliner Marin, Manuel; Boronat Zaragoza, Mercedes; Corma Canós, Avelino (John Wiley & Sons, 2021-03-19)

[EN] The light olefin product distribution of the methanol-to-olefin (MTO) reaction catalyzed by acid zeolites and zeotypes depends on the nature of the entrapped hydrocarbon pool species that act as co-catalysts. The ...
Tuning the Catalytic Properties of UiO-66 Metal-Organic Frameworks: From Lewis to Defect-Induced Bronsted Acidity

Cirujano, F. G.; Llabrés i Xamena, Francesc Xavier (American Chemical Society, 2020-06-18)

[EN] The Lewis/Bronsted acidity and catalytic properties of UiO-66-type metal-organic frameworks are studied in the context of tunable acid catalysts based on the presence of linker defects that create coordinatively ...
Visible-Light-Driven Photocatalytic Coupling of Benzylamine over Titanium-Based MIL-125-NH2 Metal-Organic Framework: A Mechanistic Study

Vitillo, Jenny G.; Presti, Davide; Luz, Ignacio; Llabrés i Xamena, Francesc Xavier; Bordiga, Silvia (American Chemical Society, 2020-10-29)

[EN] Imines are important building blocks in organic chemistry. Titanium-based metal-organic framework (MOF) MIL-125-NH2(Ti) can photocatalyze, under visible light and at room temperature, the selective aerobic oxidation ...
Zr-Containing UiO-66 Metal-Organic Frameworks as Highly Selective Heterogeneous Acid Catalysts for the Direct Ketalization of Levulinic Acid

Rapeyko, Anastasia; Rodenas, Miguel; Llabrés i Xamena, Francesc Xavier (Wiley-VCH Verlag GmbH & Co. KGaA, 2022-03)

[EN] Zr-containing UiO-66 materials are active and reusable heterogeneous catalysts for the selective ketalization of levulinic acid (LA) with 1,2-propanediol, affording selectivities of up to 91-93% at full LA conversion, ...