AN OXOVANADIUM(IV)-CONTAINING N2O2 CHELATE COMPLEX; CRYSTAL STRUCTURE DETERMINATION AND DFT

Abstract

A stable oxovanadium(IV) complex was obtained by template condensation of 2-hydroxynaphthaldehyde S-methylthiosemicarbazone and salicylaldehyde in the presence of VOSO4. The structure of VO(II) centered metal complex was confirmed by elemental analysis and was characterized by single crystal X-ray diffraction technique and density functional theory (DFT/B3LYP) LANL2DZ compared with experimental data. The complex crystal is in the form of dark green-colored small sticks. The experimental data of the monoclinic crystalline structure which belonging P1 21/n1 space group was compared to those obtained with DFT-B3LYP-LANDL2DZ. It was seen that experimental and theoretical values are in a good agreement.