DFT Studies on second-order nonlinear optical properties of mono (salicylaldiminato) Nickel(II) polyenyl Schiff base metal complexes

DFT B3LYP method was employed to investigate the second-order nonlinear optical (NLO) properties of mono(salicylaldiminato) polyenyl Schiff base Nickel(II) complexes. It is found that the second-order NLO properties and electron structures of the metal complexes are influence strongly by the role of metal ion, and the organometallic group is a good electron donor.