Polarizability and Hyperpolarizability of Schiff Base Salen-H2 as Judged as UV-vis Spectroscopy and Simulation Analysis

The aim of the present study was to evaluate the properties of linear andnonlinear optics of the Schiff base Salen. Crystal structure of nanoparticles wasdetermined by a Bruker make diffractometer, Cu-K X-rays of wavelength (=1.5406Å). The XRD patterns were recorded in the 2 range of 10–90o with a step width of 0.02s-1. The UV-Vis Spectra recorded on a computerized double - beam Shimadzu 2550spectrophotometer, using two matched 10.0 mm quartz cell. In this paper, refractiveindex, extinction coefficient and optical conductivity are calculated by using UVspectrum (Ultraviolet). Also, nonlinear optical property of matter and dielectric tensor arecomputed by using Gaussian software and based on density functional theory (DFT). Theresults showed that with decreasing of wavelength, the refractive index increase from 1.19value to 2.64. This is due to the strong interaction between photons and conductingelectrons. Also material was not asymptotic and has non-linear optical property, Also thetriclinic structure for this material has been specified through dielectric tensor.