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dc.contributor.authorRazquin Bobillo, Laura
dc.contributor.authorPajuelo Corral, Oier
dc.contributor.authorZabala Lekuona, Andoni
dc.contributor.authorVitorica Yrezabal, Iñigo J.
dc.contributor.authorGarcía Martínez, José Angel
dc.contributor.authorMoreno, Jose M.
dc.contributor.authorRodríguez-Diéguez, Antonio
dc.contributor.authorCepeda Ruiz, Javier
dc.date.accessioned2023-11-23T16:49:33Z
dc.date.available2023-11-23T16:49:33Z
dc.date.issued2023-10-13
dc.identifier.citationCrystals 13(10) : (2023) // Article ID 1490es_ES
dc.identifier.issn2073-4352
dc.identifier.urihttp://hdl.handle.net/10810/63133
dc.description.abstractIn the present work, we report on a 3D MOF of {[Pb5(μ3-OH)(μ3-NO3)3(μ6-pmdc)3]·H2O}n formula (pmdc = pyrimidine-4,6-dicarboxylate) synthesized by an oven-heated, solvent-free procedure. The large connectivity afforded by the three ligands in their coordination to lead(II) ions grows cubic building units characterized by a central Pb atom with an unusual coordination index of 12 and 6 pmdc ligands occupying the faces. These cubic units are linked to one another giving rise to a quite condensed structure that represents an unprecedented topology showing the (4·62)6(43)2(45·610)3(45·68·82)6(46·69)6(612·83) point symbol. The crystalline material has been characterized by routine physico-chemical techniques to confirm its purity, and its thermal behaviour has been also studied by thermogravimetric and thermodiffractometric analyses. The solid presents a greenish blue photoluminescent emission based on pmdc ligands, as revealed by time-dependent density-functional theory (TDDFT) calculations, which is substantially more intense than in the free H2pmdc ligand according to its improved quantum yield. The emissive capacity of the material is further analysed according to decreasing temperature of the polycrystalline sample, finding that sizeable, long-lasting phosphorescence is present.es_ES
dc.description.sponsorshipThis research was funded by Gobierno Vasco/Eusko Jaurlaritza (IT1755-22, IT1722-22 and IT1500-22) and Junta de Andalucía (ProyExcel_00386 and FQM-394). This publication is also part of the I+D+i projects of PGC2018-102052-A-C22 and PGC2018-102052-B-C21 codes, funded by MCIN/ AEI/10.13039/501100011033/ and “FEDER Una manera de hacer Europa”.es_ES
dc.language.isoenges_ES
dc.publisherMDPIes_ES
dc.relationinfo:eu-repo/grantAgreement/MCIN/PGC2018-102052-A-C22es_ES
dc.relationinfo:eu-repo/grantAgreement/MCIN/PGC2018-102052-B-C21es_ES
dc.rightsinfo:eu-repo/semantics/openAccesses_ES
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectlead(II)es_ES
dc.subjectmetal–organic frameworkes_ES
dc.subjectpyrimidine-4,6-dicarboxylatees_ES
dc.subjectnew topologyes_ES
dc.subjectphotoluminescence propertieses_ES
dc.subjecttime-dependent density-functional theoryes_ES
dc.titleA Luminescent MOF Based on Pyrimidine-4,6-dicarboxylate Ligand and Lead(II) with Unprecedented Topologyes_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.date.updated2023-10-27T12:57:42Z
dc.rights.holder© 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).es_ES
dc.relation.publisherversionhttps://www.mdpi.com/2073-4352/13/10/1490es_ES
dc.identifier.doi10.3390/cryst13101490
dc.departamentoesFísica
dc.departamentoesQuímica aplicada
dc.departamentoeuFisika
dc.departamentoeuKimika aplikatua


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© 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
Except where otherwise noted, this item's license is described as © 2023 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).