Synthesis, Physiochemical and Thermal Study of Some Transition Metal Complexes with Chelating Ligand and Study their Theoretical Treatments

Abstract

Complexes of Cr⁺³, Ni⁺² and Cu⁺² with the ligand 2-(p- nitrobenzoyl) thiobenzimidazol) (L) were prepared and characterized by FT-IR  ,UV-Visible, TG analysis ,Atomic absorption spectroscopy , Molar conductivity and magnetic moments measurements .The general formula has been suggested for all the prepared complexes [Cr(L)₂Cl₂]Cl.4H₂O, [Ni(L)₂(H₂O)₂]Cl₂.2H₂O and [Cu(L)₂(H₂O)₂]Cl₂.2C₂H₅OH to be an octahedral geometry. A theoretical treatment of these compounds in gas phase was done using HyperChem.8.7 program. Semi –empirical PM3 method was performed to evaluate the ∆H° _ƒ, ∆ E_b and ∆E_T for all compounds, also vibration frequencies, electronic spectra and electrostatic potential HOMO and LUMO energies for the ligand was estimated to determine the reactive position for this ligand .

Keywords: Physiochemical study, Transition metal ion, octahedral structure, Theoretical study.