Syntheses, Structural Insight and HirshFeld Surface Analysis of Two Heteroleptic Coordination Polymer of Cu(II)

Abstract

Using a solvothermal method, we have synthesized two coordination polymers of Cu(II). One is a 1D polymer {[Cu(bpy)(NDC)(H 2 O)].2H 2 O} n (1, 1D) formed with 1,8-naphthalene dicarboxylic acid (H 2 NDC) and 2,2′ -bipyridine (bpy) as an auxiliary ligand, while the other is a 2D polymer {[Cu 3 (TMA)(Imd) 3 ].5H 2 O.2DMF} n (2, 2D) formed with trimellitic acid (H 3TMA) and imidazole (Imd) as an auxiliary ligand. Both coordination polymers 1 and 2 were formed through an in situ hydrolytic ring opening reaction of 1,8-naphthalic anhydride and trimelitic anhydride with bipyridine and imidazole ligands, respectively. The asymmetric unit of polymer 1 contains asymmetric η 1 binding mode (one of the carboxylate) linking distorted square-pyramidal [Cu(NDC)(bpy)(H 2 O)] 2+ coordination units. The syn-syn-η 1 :η 1 linear polymer conformation exist in the 1D coordination polymer with adjacent Cu…Cu distance is 6.849Å. A chain of cyclic tetrameric water clusters is present between the stacked layers of the 3D supramolecular structure. The formation of the 3D supramolecular structure is guided by various weak interactions such as OH…O, CH…O, CH…π and π…π interactions. The coordination polymers 2 forms 3D supramolecular architecture guided by various weak interactions such as OH…O, CH…O and NH…O interactions. The crystal structures of both coordination polymers have been determined using single crystal X-ray diffraction and their structural features are described.