Two new mononuclear zinc(II) and cadmium(II) coordination polymers based on 4-(3-pyridyl)-2H-1,2,3-triazole: Syntheses, structures, theoretical and fluorescent properties

Abstract

Two new d10 metal coordination polymers (CPs), [Zn(L)NO3]n (1) and [Cd(L)I2]n (2) (L = 4-(3-Pyridyl)-2H-1,2,3-triazole), have been designed and synthesized from ZnII/CdII ions and the rigid L ligand. The CPs 1 and 2 have been structurally characterized by single-crystal X-ray diffraction analyses, elemental analysis, IR spectroscopy, powder X-ray diffraction (PXRD) and thermal gravimetric analyses (TGA). CP 1 exhibits a hcb (3,3)-connected 2D network with the point symbol (63) and further forms a supramolecular 3D structure via hydrogen bonds. CP 2 reveals a 1D straight chain constructed by units of [Cd(1)N2I4] and hydrogen bonding leads to the formation of supramolecular 3D system. In addition, time-dependent density functional theory calculations with B3LYP functional were performed on L, CPs 1 and 2 to rationalize their experimental absorption spectra. The luminescence properties of L, CPs 1 and 2 in solid-state and different solvents have been also investigated.