Reverse saturable absorption behavior of Disodium 8-Hydroxy-5,7-Dinitro-2-Naphthalenesulfonate Hydrate for nonlinear optical applications.

Abstract Nonlinear optical properties, vibrational features, optical and electronic properties of organic dye Disodium 8-Hydroxy-5,7-Dinitro-2-Naphthalenesulfonate Hydrate have been studied. Spectral and electronic properties were studied by FT-IR, FT-Raman and UV–visible spectroscopic technique combined with density functional theory (DFT) and time dependent density functional theory (TD-DFT) methods respectively. The intramolecular charge transfer interactions leading to nonlinear optical response have been analyzed by natural bond orbital analysis. The kinetic stability, chemical reactivity and electrophilicity index were studied by frontier molecular orbital analysis. The first- and second hyperpolarizabilities were calculated at DFT level using B3LYP and CAM-B3LYP hybrid functional. The third-order nonlinear optical performance of the compound have been investigated experimentally by open and closed aperture Z-scan techniques. Z-scan measurements were performed using Q-switched Nd: YAG laser with 5 ns pulses at 532 nm with different dye concentrations and intensities. The Z-scan results confirm the sign of nonlinear absorption and refraction are positive. The optical limiting threshold and laser damage threshold were measured. The obtained results promote the title compound can be considered as a promising candidate for developing future optoelectronic and photonic devices. Graphical abstract Image 1 Highlights • Experimental spectroscopic characterization has been compared with theoretical DFT/TD-DFT results. • Second order hyperpolarizability was computed theoretically and compared with the experimental result. • Third-order nonlinear optical parameters were measured at different concentrations and intensities using the Z-scan technique. • Optical limiting property and Laser damage threshold were studied. [ABSTRACT FROM AUTHOR]