Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study Guerrero García, Pablo Cepeda, Javier Ortega Muñoz, Mariano García, José Angel Navarro, Amparo Choquesillo Lazarte, Duane Rojas Macías, Sara Rodríguez Diéguez, Antonio Quesada Moreno, María del Mar Vitorica-Yrezabal, Iñigo Javier Herein, we report the synthesis and photoluminescence properties of a new 1,3-dioxo-2-(1H-tetrazol-5-yl)-2,3-dihydro-1H-benzo[de]isoquinoline-6,7-dicarboxylic (H3L) ligand and three coordination polymers (CPs). Compound [Zn(ntca)DMF]n·DMF (1) (ntca2− = 1,4,5,8-naphthalenetetracarboxylate 1,8-monoanhydride, DMF = N,N-dimethylformamide) formed 1D coordination polymer chains packed by hydrogen bonding interactions. On its part, compounds namely [(CH3)2NH2](Zn2(μ-OH)(L)(5-NH2-tetrazolate)n·2H2O (2) and [(CH3)2NH2](ZnL)n (3) (where H3L stands for 1,3-dioxo-2-(1H-tetrazol-5-yl)-2,3-dihydro-1H-benzo[de]isoquinoline-6,7-dicarboxylic acid) crystallize as 2D-layered and 3D anionic frameworks containing dimethylammonium cations occupying the voids. Photoluminescence (PL) measurements have been performed in the solid state on all CPs and ligands to characterize their emission properties, including variable-temperature spectra, lifetime and efficiency. Moreover, the photophysical properties have been studied from the theoretical viewpoint by means of time dependent density functional theory (TD-DFT) in order to elucidate the mechanisms and electronic transitions governing the process. Compounds 1 and 3 present an intense blue luminescence which was originated in the electronic transitions of the ntca2− and the L3− ligands. Compound 2 displays a lower quantum yield which could be tentatively attributed to the weak π–π interactions of the aromatic clouds of L3− or the molecular vibrations and/or possible rotational motions of the 5-amino-tetrazolate co-ligand. 2024-06-19T07:52:34Z 2024-06-19T07:52:34Z 2024-01-30 journal article Guerrero-García, Pablo, et al. Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study. CrystEngComm, 2024, 26, 1268-1277 [10.1039/d3ce01233f] https://hdl.handle.net/10481/92695 10.1039/d3ce01233f eng info:eu-repo/grantAgreement/EC/Next Generation-EU/RYC2021-034288-I info:eu-repo/grantAgreement/EC/Next Generation-EU/RYC2021-032522-I http://creativecommons.org/licenses/by-nc/4.0/ open access Atribución-NoComercial 4.0 Internacional Royal Society of Chemistry