RESUMO
A Schiff base is prepared by the reaction of 7-hydroxy-1-naphthaldehyde with 4-aminoben-zenesulfonamide. The prepared Schiff base L4 compound was characterized by 1H NMR, Mass and FTIR spectroscopies. The optimization of the prepared L4 compound is carried out via DFT-B3LYP and 6-311G (d,p). The nonlinear optical (NLO) properties of the prepared L4 compound are investigated theoretically by the calculation of some quantum chemical descriptors (QCDs). TD-DFT via B3LYP and 6-311G calculations are used to study L4 compound UV-vis. spectrum at the same theoretical method and level. The L4 compound NLO properties are examined via irradiation with a CW laser beam, where the nonlinear index of refraction (NLIR) is calculated via diffraction patterns (DPs) and the Z-scan and as high as 4.579 × 10-11 m2/W of NLRI is obtained. Static (S) and dynamic (D) all optical switching (AOS) are examined using two CW and pulsed laser beams of wavelengths (473 and 532) nm.
RESUMO
The dye of azo compound is prepared by coupling reaction of dizonium salt of sulfanilamide with benzoylacetone. The product is characterized by FTIR spectroscopy, Mass spectroscopy and 1H NMR spectroscopy. The geometries of the synthesized dye is optimized using B3LYP method and 6-31G (d,p) basis sets. Nonlinear optical properties are investigated theoretically by calculation of some quantum chemical descriptors using the DFT/B3LYP method with a 6-31G(d,p) basis set in comparison with urea as a standard. The UV-visible spectrum of synthesized azo dye are calculated using TD-DFT with B3LYP/6-31G(d,p) level. The nonlinear refractive index of the prepared dye is calculated via the diffraction ring patterns and Z-scan techniques using 473 nm visible, continuous wave laser light. The diffraction ring patterns are numerically simulated using the Fresnel-Kirchhoff theory with reasonable agreements. The property of optical limiting of the azo dye is tested.
