New Homo and Heterobinuclear Macrocyclic Complexes Bearing Isatine Structural Characterization, Thermal Study and DFT Calculations

A new metal-free macrocyclic Schiff base ligand bearing two metal cavities incorporated with sets of N3O2 donor atoms derived from 2, 6-diaminopyridine and isatine was synthesized. The used to prepare homo hetero binuclear complexes Ni (II), Cu ZrO (II) Ba ions. were characterized using Fourier transform infrared (FT-IR), UV–vis, mass spectroscopy, elemental analysis (CHN), thermo gravimetric (TGA), magnetic susceptibility, molar conductivity measurements. DFT calculations the B3LYP functional method have been applied obtain geometry electronic properties its support experimental data. To describe reactivity title molecules, HOMO LUMO levels Mulliken atomic charges determined.