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Synthesis and structural characterization of nickel(II) coordination complexes with mixed-ligand systems: exploring π−π stacking and hydrogen bonding in supramolecular assemblies

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Abstract

Two coordination complexes [Ni(Hpydco)2(bpy)] (1) and [Ni(pydco)(phen)(H2O)2]·4.5H2O 0.5CH3OH (2) have been synthesized using a mixed-ligand system including pyridine-2,5-dicarboxylic acid N-oxide (H2pydco) as an O-donor ligand and 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen) as a chelating N-donor ligand and NiCl2.6H2O as a source for Ni ions. The crystal structures of 1 and 2 form discrete complexes in which extensive π−π stacking interactions between aromatic rings of the N-donor ligands resulted in the formation of one dimensional (1D) chain-like structures. The chains are connected by hydrogen bonds to expand the structures into 2D-supramolecular networks. Hirshfeld surface analysis and Density Functional Theory (DFT) calculations were included to rationalize the relative strength of the π-stacking assemblies observed in both complexes.

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Acknowledgements

M.M. gratefully acknowledges financial support from the Ferdowsi University of Mashhad (Grant No. 3/50211), the Iran Science Elites Federation (ISEF), Zeolite and Porous Materials Committee of Iranian Chemical Society and the Iran National Science Foundation (INSF). This work is supported by Iran Science Elites Federation Grant No. M/98208, M/99397, and M/400230. J.T.M thanks Tulane University for support of the Tulane Crystallography Laboratory.

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Authors and Affiliations

  1. Department of Chemistry, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, 9177948974, Iran

    Abdul Samad Hamid, Masoud Mirzaei & Maryam Bazargan

  2. Department of Chemistry, Tulane University, New Orleans, LA, 70118, USA

    Joel T. Mague

  3. INBIOFAL (CONICET – UNT), Instituto de Química Orgánica, Facultad de Bioquímica, Química y, Farmacia, Universidad Nacional de Tucumán, 471 T4000INI, Ayacucho San Miguel de Tucumán, Argentina

    Diego M. Gil

  4. Department of Chemistry, Universitat de Les Illes Balears, Crta. de Valldemossa Km 7.5, 07122, Palma deMallorca (Baleares), Spain

    Antonio Frontera

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Correspondence to Masoud Mirzaei.

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Hamid, A.S., Mirzaei, M., Bazargan, M. et al. Synthesis and structural characterization of nickel(II) coordination complexes with mixed-ligand systems: exploring π−π stacking and hydrogen bonding in supramolecular assemblies. J IRAN CHEM SOC (2024). https://doi.org/10.1007/s13738-024-03034-6

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