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