A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration
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MDPI
Materia
Zinc(II) Coordination polymer Lamellar structure Pyrimidine-4,6-dicarboxylate Photoluminescence properties Time-dependent density-functional theory
Date
2023-07-25Referencia bibliográfica
Pajuelo-Corral, O.; García, J.A.; Castillo, O.; Luque, A.; Mendicute-Fierro, C.; Rodríguez-Diéguez, A.; Cepeda, J. A Lamellar Zn-Based Coordination Polymer Showing Increasing Photoluminescence upon Dehydration. Molecules 2023, 28, 5643. [https://doi.org/10.3390/molecules28155643]
Sponsorship
Basque Government IT1755-22, IT1722-22, IT1500-22; Junta de Andalucia B-FQM-734-UGR20, ProyExcel_00386, FQM-394Abstract
The present study reports on a 2D lamellar coordination polymer (CP) of {[Zn(& mu;(3)-pmdc)(H2O)]& BULL;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 Zn-2 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.