Synthesis, Jahn-Teller labeled via crystal structure in trans-(ClO4)2CuII(Me2N-Py)4 complex: S9/S6/C-H…O synthons, thermal, physicochemical and 1BNA-docking

Abstract

The synthesis of the trans-(ClO4)2CuII(Me2N-Py)4 complex (where Me2N-Py = N,N-dimethylpyridin-4-amine ligand) in significant yield involved the reaction of excess Me2N-Py ligand with Cu(ClO4)2·6H2O in MeOH solvent. The progression of the complex synthesis was monitored by UV–Vis, FT-IR, EDX, XRD, MS, SEM, CHN-EA, and TG/DTG. The resulting complex crystallized in the Triclinic space P1¯. In the solid state, the desired complex structure discrete a neutral trans-(ClO4)2CuII(Me2N-Py)4 formula, with copper(II) adopting a distorted octahedral environment formed by four Me2N-Py ligands occupying the square planar position Cu(Py)4, meanwhile, the two ClO4 are in linear trans-position. The XRD measurements proved the existence of elongation Jahn-Teller distortion in the synthesized complex. Furthermore, a comprehensive analysis of the desired complex, including. XRD/HSA interactions revealed the presence of two S9 and S6 main 2D-synthons primarily formed through Cph-H….OClO3 and CMe-H…OClO3 non-classical H-bonding interactions. Thermal stability assessments through TG/DTG indicated that the complexes with the most stable behavior underwent two degradation steps. The molecular docking of the desired complex against 1BNA-DNA was also evaluated.