Institution: | aAnkara University, Faculty of Sciences, Department of Physics, TR-06100 Tando?an, Ankara, Turkey bAnkara University, Faculty of Engineering, Department of Engineering Physics, TR-06100, Tando?an, Ankara, Turkey cSelçuk University, Faculty of Arts and Sciences, Department of Physics, TR-42049 Campus, Konya, Turkey dBalikesir University, Faculty of Art and Sciences, Department of Physics, TR-10100 Balikesir, Turkey |
Abstract: | 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 Møller 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. |