Synthesis of palladium(II) complex with NNS donor Schiff base ligand via CS bond cleavage: X-ray structure, electrochemistry and DFT computation

We have successfully synthesized palladium(II) complex [Pd(L)Cl] by the reaction of ligand, L-Ch2Ph with Na2PdCl4 in acetonitrile via CS bond cleavage. The distorted square planar geometry is confirmed by single crystal X-ray study. The complex exhibits ligand based thiophenolato to thiyl radical oxidation over the minor possibility of Pd(II)/Pd(III) process. Electronic structure, solution spectrum and redox properties interpreted by DFT and TDDFT calculations.106