@article { author = {Kianfar, Ali Hossein and Mohamadi Malek Abadi, Hajar and Hashemi Fath, Roghayeh and Roushani, Mahmoud}, title = {Electrochemistry, Thermalanalysis, and Theoretical Study of Vanadyl Schiff Base Complexes}, journal = {Inorganic Chemistry Research}, volume = {1}, number = {1}, pages = {9-20}, year = {2016}, publisher = {Iranian Chemical Society}, issn = {2538-1865}, eissn = {2538-1865}, doi = {10.22036/icr.2016.33228}, abstract = {The VO(IV) complexes of tridentate ONO Schiff base ligands derived from 2- aminobenzoicacid and salicylaldehyde derivatives were synthesized and characterized by IR, UV–Vis and elemental analysis. Electrochemical properties of the vanadyl complexes were investigated by cyclic voltammetry. A good linear correlation was observed between the oxidation potentials and the electron-withdrawing character of the substituents on the Schiff bases, showed the following trend: MeO < H < Br < NO2. The thermogravimetry (TG) and differential thermoanalysis (DTA) of the synthesized complexes were carried out in the range of 20–700 °C. All of the complexes decomposed in three steps. The thermal decomposition pathways were closely related to the nature of the Schiff base ligands and preceded via ﬁrst-order kinetics. The structures of compounds were determined by ab initio calculations. The optimized molecular geometry was calculated at the B3LYP/6-31G(d) level. The results suggested that, in the complexes, V(IV) ion was in square-pyramid or TBP (trigonal bipyramidal) NO4 coordination geometry. Also the bond lengths and angles were studied and compared.}, keywords = {Vanadyl complexes,Tridentate schiff base ligands,Schiff base Complexes,Thermogravimetry,Electrochemistry,Ab initio calculations}, url = {http://www.inorgchemres.org/article_33228.html}, eprint = {http://www.inorgchemres.org/article_33228_a08cd536691a4b90c5aff1f1a8390ab5.pdf} }