Theoretical and Experimental Study for Cross-Coupling Aldol Condensation over Mono- and Bimetallic UiO-66 Nanocatalysts

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dc.catalogadorgjm
dc.contributor.authorPazo Carballo, César Alexander
dc.contributor.authorBlanco, Elodie
dc.contributor.authorCamu, Esteban
dc.contributor.authorLeiva Campusano, Ángel
dc.contributor.authorHidalgo-Rosa, Yoan
dc.contributor.authorZarate, Ximena
dc.contributor.authorDongil, Ana Belén
dc.contributor.authorSchott Verdugo, Eduardo Enrique
dc.contributor.authorEscalona, Néstor
dc.date.accessioned2023-06-19T18:09:05Z
dc.date.available2023-06-19T18:09:05Z
dc.date.issued2023
dc.description.abstractMono- and bimetallic UiO-66 nanocatalysts were synthesized using the solvothermal synthesis method and evaluated in the aldol condensation reaction of benzaldehyde and acetone in a batch reactor. N2 physisorption, thermogravimetric analysis, temperature-programmed desorption of ammonia, X-ray diffraction, field-emission scanning electron microscopy–energy-dispersive X-ray, X-ray photoelectron spectroscopy, potentiometric titration, and Fourier transform infrared were used to characterize the nanocatalysts. The higher activity exhibited by the Zr/Hf-UiO-66 catalyst could be attributed to the lower orbital energy interaction with benzaldehyde, as shown by density functional theory. A synergetic effect is observed for the bimetallic UiO-66 nanocatalyst between Zr and Hf, obtaining a higher reaction rate than the monometallic nanocatalysts. Meanwhile, this antagonistic effect was shown in the bimetallic catalysts between Zr and Ce, which was less active than the monometallic UiO-66 catalyst due to free COOH generated during the synthesis. Finally, the selectivity results showed that incorporating Hf and Ce on Zr-UiO-66 favors benzalacetone formation by cross-coupling condensation of benzaldehyde and acetone at isoconversion conditions.
dc.fechaingreso.objetodigital2023-06-19
dc.fuente.origenORCID
dc.identifier.doi10.1021/acsanm.2c05555
dc.identifier.urihttp://dx.doi.org/10.1021/acsanm.2c05555
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/73503
dc.information.autorucEscuela de Química; Pazo Carballo, César Alexander; 0000-0002-0952-7672; 1092672
dc.information.autorucEscuela de Ingeniería; Blanco, Elodie; 0000-0001-9955-8394; 1056872
dc.information.autorucEscuela de Química; Camu, Esteban; S/I; 1094816
dc.information.autorucEscuela de Química; Leiva Campusano, Ángel; 0000-0003-3744-1945; 88381
dc.information.autorucEscuela de Química; Schott Verdugo, Eduardo Enrique; 0000-0002-2546-304X; 1020229
dc.information.autorucEscuela de Química; Escalona, Néstor; 0000-0002-2628-4609; 1021533
dc.issue.numero6
dc.language.isoen
dc.nota.accesoContenido parcial
dc.pagina.final5433
dc.pagina.inicio5422
dc.revistaACS Applied Nano Materials
dc.rightsacceso restringido
dc.subjectBenzaldehyde
dc.subjectAldol condensation
dc.subjectCross-coupling reactions
dc.subjectDFT
dc.subjectAcid−base sites
dc.subjectHeterogeneous catalysis
dc.titleTheoretical and Experimental Study for Cross-Coupling Aldol Condensation over Mono- and Bimetallic UiO-66 Nanocatalysts
dc.typeartículo
sipa.codpersvinculados1092672
sipa.codpersvinculados1056872
sipa.codpersvinculados1094816
sipa.codpersvinculados88381
sipa.codpersvinculados1020229
sipa.codpersvinculados1021533
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