New monomeric mixed-ligand complex of iron(III)-3-chloropyridine: Synthesis, structure, luminescence, electrochemical and magnetic properties

Abstract

The monomeric aquobis(3-chloropyridine)tri(chloro)iron(III) 3-chloropyridine complex, [FeIII(3-Clpy)2(H2O)Cl3]·3-Clpy is synthesized and characterized using spectroscopic techniques, single crystal X-ray diffraction, magnetic susceptibility and cyclic voltammetry techniques. The structural and spectroscopic features help to identify the formation of the mixed-ligand high spin complex. The theoretical calculation to determine the electronic, magnetic and optical properties were performed by Density Functional Theory using VASP calculation. The variable temperature magnetic susceptibility indicates the presence of a paramagnetic iron(III) center in the complex. Electrochemical studies of the complex with cyclic voltammetry showed cathodic peaks corresponding to a FeIII to FeII reduction. To the best of our knowledge, this is the first report on the synthesis and characterization of monomeric iron(III)-3-chloropyridine complex.