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Highly efficient carbon catalysts for the green synthesis of 1,5-benzodiazepine: experimental and theoretical study

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dc.contributor.authorGodino Ojer, Marina
dc.contributor.authorRipoll Morales. Vanessa
dc.contributor.authorPastrana martínez, Luisa M.
dc.contributor.authorMorales Torres, Sergio
dc.contributor.authorMaldonado Hódar, Francisco J.
dc.contributor.authorPérez Mayoral, María Elena
dc.date.accessioned2025-03-18T11:45:55Z
dc.date.available2025-03-18T11:45:55Z
dc.date.issued2024-04-15
dc.descriptionThis is an Accepted Manuscript of an article published by Elsevier in "Catalysis Today, 432", available at: https://doi.org/10.1016/j.cattod.2024.114572
dc.descriptionEste es el manuscrito aceptado del artículo publicado por Elsevier en "Catalysis Today, 432", disponible en línea: https://doi.org/10.1016/j.cattod.2024.114572
dc.description.abstractA family of sustainable carbon catalysts with different chemical surface, active and selective for the synthesis of benzodiazepine 1 (BDZ), from o-phenylendiamine (OPD) 2 and acetone 3, under mild conditions, is reported. Catalysts were prepared by acids treatments with H2SO4 or H3PO4 of an activated carbon doped with ZnO at 3% wt (N3Zn) and, subsequently, submitted to additional thermal treatment in air. Simultaneously to the ZnO leaching, surface C-SO3 groups were generated by treatment of N3Zn with H2SO4 (N3Zn-S) whereas treatment with H3PO4 led to C-PO3 functions (N3Zn-P sample). The thermal treatment partially removes the C-SO3 groups (N3Zn-S-C sample) while C-PO3 functions were partially oxidized to C-OPO3 groups (N3Zn-P-C). Our results suggest that these chemical surface modifications of the catalysts are key on catalytic performance, pointed out the importance of the nature and distribution of acid sites at the surface. Remarkably, investigated carbon catalysts (N3Zn-S samples) were more active than the NS catalyst obtained by direct treatment of AC with H2SO4, this last mainly functionalized with C-OSO3 groups. Although the catalysts resulting of the H3PO4 treatment showed both a similar activity, some differences on selectivity to BDZ 1 were observed, attributed to certain specificity of P-functions at the surface depending on the acid strength of active sites and the reaction conditions. These results were supported by DFT calculations.en
dc.description.versionversión final
dc.identifier.citationGodino-Ojer, M., Ripoll-Morales, V., Pastrana-Martínez, L. M., Morales-Torres, S., Maldonado-Hódar, F. J., & Pérez-Mayoral, E. (2024). Highly efficient carbon catalysts for the green synthesis of 1,5-benzodiazepines: Experimental and theoretical study. Catalysis Today, 432. https://doi.org/10.1016/j.cattod.2024.114572
dc.identifier.doihttps://doi.org/10.1016/j.cattod.2024.114572
dc.identifier.issn0920-5861 | eISSN 1873-4308
dc.identifier.urihttps://hdl.handle.net/20.500.14468/26305
dc.journal.titleCatalysis Today
dc.journal.volume432
dc.language.isoes
dc.publisherElsevier
dc.relation.centerFacultad de Ciencias
dc.relation.departmentQuímica Inorgánica y Química Técnica
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
dc.subject23 Química
dc.titleHighly efficient carbon catalysts for the green synthesis of 1,5-benzodiazepine: experimental and theoretical studyen
dc.typeartículoes
dc.typejournal articleen
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relation.isAuthorOfPublicationa0e31477-6806-4f00-afdc-90c4136f232e
relation.isAuthorOfPublication.latestForDiscoverya0e31477-6806-4f00-afdc-90c4136f232e
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