Synthesis and theoretical study of Cu (II)‎ and V (IV)‎ with 2-(2,3-dimethyl phenyl)‎ amino benzoic acid ligands and 2-(2,5-dichloro phenyl)‎ amino phenyl acetic acid

Abstract EN

New complexes of the ligands 2-(2, 3-dimethyl phenyl) amino benzoic acid and 2-(2, 5-dichloro phenyl) amino phenyl acetic acid with copper(II) and vanadyl (IV) ions have been prepared.

These complexes were characterized by infrared, U.

V-visible spectral data, molar conductivity and thermogravimetric analysis.

It was shown that the stoichemetry to be 1 : 2(metal to ligand), in which the ligands are acting as a bidentate ligands through the amino and carboxylate groups.

The molecular modeling of all complexes was performed using MM + molecular mechanics and ZINDO / 1, ZINDO / s semi-empirical methods.

The calculated IR, U.

V-visible data of the complexes have been compared with recorded spectrum.

The assignments of the most important vibrational modes are aided by the animation option of the HyperChem program.

The method used to simulate the geometry, ZINDO / 1, provide the best geometric copper Complex [I] and [III] described as distorted square planer, while oxovanadium complexes [II] and [IV] founded in the distorted square pyramidal.

The proposed mechanism of the interaction between the ligands and the Cu (II), VO (IV) cations was investigated.