Synthesis, spectroscopic studies and nonlinear optical behavior of N,N′-bis(2-hydroxy-1-naphthylmethylidene)-1-methyl-1,2-diaminoethane-N,N′,O,O′-nickel(II)

A Schiff base complex N , N ′-bis(2-hydroxy-1-naphthylmethylidene)-1-methyl-1,2- diaminoethane- N , N ′, O , O ′-nickel(II) has been synthesized. The title compound has been characterized by FT-IR and UV–vis spectroscopies. The UV–vis experiments indicate that the compound has solvatochromism in the UV region, implying non-zero molecular first hyperpolarizability. To investigate microscopic second-order nonlinear optical (NLO) behavior of the examined complex, the electric dipole moments ( μ ) and the first static hyperpolarizabilities ( β ) were computed using Finite Field second-order Moller Plesset (FF MP2) perturbation procedure. According to ab initio quantum mechanical calculations, the title complex exhibits non-zero β values, revealing microscopic second-order NLO behavior.