Preparation and Theoretical Study of the Schiff Base 1,3 -bis[(E)-(2-hydroxy-3-nitrophenyl)methyl indene]urea and its Complexes using Semi-empirical Method (PM6)

Abstract

In this research the ligand 1,3-bis[(E)-(2-hydroxy-3-nitrophenyl) Methyl idene] urea and its complexes using salts of Cu(II), Ni(II) and V(IV) were prepared and they have been identified using the spectroscopic measurements (ultraviolet-visible and infrared) spectroscopy and conductivity measurements, all these measurements confirmed that the geometry structures of the complexes Cu(II) and Ni(II) were distorted octahedron but the geometry structure of V(IV) is quintet. The theoretical study of the ligand and its complexes using GaussView05/Gaussian09w with semi-empirical (PM6) method were conducted to measure the (IR and UV spectroscopy), and some of physical and thermodynamic properties.