A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration
dc.contributor.author | Pajuelo Corral, Oier | |
dc.contributor.author | García Martínez, José Angel | |
dc.contributor.author | Castillo García, Oscar | |
dc.contributor.author | Luque Arrebola, Antonio | |
dc.contributor.author | Mendicute Fierro, Claudio | |
dc.contributor.author | Rodríguez Diéguez, Antonio | |
dc.contributor.author | Cepeda Ruiz, Javier | |
dc.date.accessioned | 2023-09-26T13:22:38Z | |
dc.date.available | 2023-09-26T13:22:38Z | |
dc.date.issued | 2023-07-25 | |
dc.identifier.citation | Molecules 28(15) : (2023) // Article ID 5643 | es_ES |
dc.identifier.issn | 1420-3049 | |
dc.identifier.uri | http://hdl.handle.net/10810/62678 | |
dc.description.abstract | The present study reports on a 2D lamellar coordination polymer (CP) of {[Zn(µ3-pmdc)(H2O)]·H2O}n formula (pmdc = pyrimidine-4,6-dicarboxylate). This CP is synthesized under an appropriate acid-base reaction between the gently mortared reagents in the solid state through a solvent-free procedure that avoids the presence of concomitant byproducts. The X-ray crystal structure reveals the occurrence of Zn2 entities connected through carboxylate groups of pmdc, which behave as triconnected nodes, giving rise to six-membered ring-based layers that are piled up through hydrogen bonding interactions. In addition to a routine physico-chemical characterization, the thermal evolution of the compound has been studied by combining thermogravimetric and thermodiffractometric data. The photoluminescence properties are characterized in the solid state and the processes governing the spectra are described using time-dependent density-functional theory (TD-DFT) with two different approaches employing different program packages. The emissive capacity of the material is further analyzed according to the dehydration and decreasing temperature of the polycrystalline sample | es_ES |
dc.description.sponsorship | This research was funded by Gobierno Vasco/Eusko Jaurlaritza (IT1755-22, IT1722-22 and IT1500-22) and Junta de Andalucía (B-FQM-734-UGR20, ProyExcel_00386 and FQM-394). | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | MDPI | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
dc.subject | zinc(II) | es_ES |
dc.subject | coordination polymer | es_ES |
dc.subject | lamellar structure | es_ES |
dc.subject | pyrimidine-4,6-dicarboxylate | es_ES |
dc.subject | photoluminescence properties | es_ES |
dc.subject | time-dependent density-functional theory | es_ES |
dc.title | A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.date.updated | 2023-08-11T14:33:34Z | |
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.publisherversion | https://www.mdpi.com/1420-3049/28/15/5643 | es_ES |
dc.identifier.doi | 10.3390/molecules28155643 | |
dc.departamentoes | Química Orgánica e Inorgánica | |
dc.departamentoes | Química aplicada | |
dc.departamentoes | Física | |
dc.departamentoeu | Kimika Organikoa eta Ez-Organikoa | |
dc.departamentoeu | Kimika aplikatua | |
dc.departamentoeu | Fisika |
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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/).