New Platinum(II) Complex Containing Asymmetric Tetra Dentate Schiff Base Ligand Synthesis, Characterization and DFT Calculation

Abstract

The tetra dentate neutral (E)-4-nitro-2-((2-(2-(pyridin-2-yl) ethylthio) ethylimino) methyl) phenol, (pytaO2NSalH), Schiff-base ligand was synthesized using 1-(2-pyridyl)-3-thia-s-aminopentane (pyta) and 5-NO2salicylaldehyde. Then the related square planar Pt (II) cationic complex, [Pt (NSNO)] Cl, was synthesized using PtCl2(SMe2)2as precursor complex. The nature of the pytaO2NSalH and its platinum complex were determined by the elemental analysis, molar conductivity and spectrochemical (IR, UV–vis,1HNMR) techniques. In addition, the fully optimized geometries and vibration frequencies of them together were calculated using the ADF 2009.01 package. Structural parameters are in good agreement with the experimental data. The calculated and experimental results confirmed the suggested structures for the ligand and complex.

Synthesis, X-ray structure and DFT calculation of oxido-vanadium(V) complex with a tridentate Schiff base ligand

“…In recent years, DFT calculation is one of the attractive useful methods that have determined vague aspects of physicochemical properties of transition metal complexes [10][11][12][13][14].…”