Synthesis, crystal structure, magnetic studies, DNA binding, molecular docking studies, cytotoxicity and luminescence properties of a new coordination polymer copper(II) complex with 4,4′-trimethylenedipyridine and 1,10-phenanthroline

Abstract

In the present work, a novel coordination polymer {[Cu(phen)(Tmdipy)(NO₃)H₂O](NO₃) 2.5(H₂O)}_n (phen = 1,10-phenanthroline, Tmdipy = 4,4′- Trimethylenedipyridine), has been prepared and structurally determined by elemental analysis, IR, EPR, UV–visible and single-crystal X-ray crystallography. The complex crystallized in triclinic space group P -1, and the copper(II) shows a distorted octahedral geometry, with Jahn-Teller distortion occurring in the (4 + 2) CuN₄O₂ coordination sphere. The crystal structure evidences that the CP1 is formed of dinuclear [Cu(phen)(Tmdipy)(NO₃)(H₂O)]₂ units weakly connected by nitrate anions giving rise to 1D polymeric chain structure. EPR measurement confirms about the distorted octahedral geometry of the complex. By using UV–Vis absorption, fluorescence spectroscopy, and cyclic voltammetric techniques, the binding studies of copper(II) complex with calf thymus DNA (CT-DNA) were investigated. Additionally, the gel electrophoresis method was used to examine the cleavage of pBR322 DNA by copper(II) complex and exhibited potent cytotoxic effects against human cell line (HepG2). Finally, magnetic properties, molecular docking studies and photoluminescence characteristics have been evaluated.