Investigation on the growth and characterization of (E)-2-(1-(4-bromophenyl)ethylidene)-1-tosyl hydrazine crystals for optical limiting applications

(E)-2-(1-(4-bromophenyl)ethylidene)-1-tosylhydrazine (4BATH) crystals were successfully synthesized by reflux method, and ethyl acetate was used as a solvent to obtain 4BATH crystal by the slow evaporation solution growth method. The 4BATH structure belongs to monoclinic space group P21/c, and the cell parameters of 4BATH were attained through the single-crystal XRD analysis. FTIR and NMR measurements were used to identify the presence of different functional groups in the formed crystal and the molecular structure. According to the thermal studies, the material is suitable for NLO applications up to 180 °C. The low cut-off wavelength (284 nm) was confirmed by the optical absorption measurements. The charge transfer properties of 4BATH were analyzed using HOMO–LUMO analysis and as high band gap as E g = 4.260 eV was revealed. The intermolecular interaction in 4BATH crystal is analyzed by Hirshfeld surface analysis. Dielectric characteristics were also studied. The 4BATH compound has an optical limiting threshold value of 2.39 × 10 12 W/m 2 , indicating that it is a deserving material for optical limiting applications.