Synthesis, characterization and density function theory (DFT) calculations of two oxovanadium (IV) complexes derived from 1.10phenathroline and amino acids
Enas S Dafallah, Hassan I Nimir, Elmugdad A Ali, Mohamed R Shehata
Three oxovanadium complexes with three amino acids and 1.10Phenanthrolinum chloride monohydrate, 1.10 phenanthoroline (L1), glycine (L2), tyrosine (L3), and homoserine (L4) are synthesized. The complexes C1, [VO(Cl) (gly)(phen)] C2, [VO (Cl) (tyro)(phen)] were characterized by conductivity measurements, magnetic susceptibility, UV-Vis, IR, thermal gravimetric analysis TGA, 1H and 13C NMR. The molecular structure of the complexes C1, and C2 were confirmed using the DFT calculation to obtain the optimized geometries using the Gaussian09 program at the B3LYP/LANL2DZ level of theory. The vanadium atoms in the three complexes were coordinated in distorted octahedral geometries with L1, L2, L3, L4 acting as a bidentate and tridentate ligands through the amino nitrogen atoms and carboxylate oxygen atom.