Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

A Luminescent MOF Based on Pyrimidine-4,6-dicarboxylate Ligand and Lead(II) with Unprecedented Topology

Laura Razquin-Bobillo
ORCID logo ,
Oier Pajuelo-Corral
ORCID logo ,
Andoni Zabala-Lekuona
,
Iñigo J. Vitorica-Yrezabal
,
Jose Angel García
,
Jose María Moreno
,
Antonio Rodríguez-Diéguez
ORCID logo ,
Javier Cepeda
*
Version 1 : Received: 25 September 2023 / Approved: 26 September 2023 / Online: 27 September 2023 (10:50:07 CEST)

A peer-reviewed article of this Preprint also exists.

Razquin-Bobillo, L.; Pajuelo-Corral, O.; Zabala-Lekuona, A.; Vitorica-Yrezabal, I.; García, J.A.; Moreno, J.M.; Rodríguez-Diéguez, A.; Cepeda, J. A Luminescent MOF Based on Pyrimidine-4,6-dicarboxylate Ligand and Lead(II) with Unprecedented Topology. Crystals 2023, 13, 1490. Razquin-Bobillo, L.; Pajuelo-Corral, O.; Zabala-Lekuona, A.; Vitorica-Yrezabal, I.; García, J.A.; Moreno, J.M.; Rodríguez-Diéguez, A.; Cepeda, J. A Luminescent MOF Based on Pyrimidine-4,6-dicarboxylate Ligand and Lead(II) with Unprecedented Topology. Crystals 2023, 13, 1490.

Abstract

In the present work, we report on a 3D MOF of {[Pb5(3-OH)(3-NO3)3(6-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 six pmdc ligands occupying the faces. These cubic units are linked 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 greenish blue photoluminescent emission based on pmdc ligands, as revealed time-dependent density-functional theory (TD-DFT) calculations, by that is substantially more intense than in 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.

Keywords

lead(II); metal-organic framework; pyrimidine-4,6-dicarboxylate; new topology; photoluminescence properties; time-dependent density-functional theory

Subject

Chemistry and Materials Science, Electronic, Optical and Magnetic Materials

Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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