Crystal growth, characterization and third order nonlinear optical studies of N’-[(E)-(4-chlorophenyl)(phenyl)methylene]-4-methylbenzenesulfonohydrazide for optical applications

N’-[(E)-(4Chlorophenyl)(phenyl)methylene]-4-methylbenzenesulfonohydrazide(4CBPTH) is synthesized by simple Schiff base condensation reaction and grown as a single crystal by slow evaporation solution growth method. 4CBPTH belong to P2 1 /c centrosymmetric space group with monoclinic crystal system having lattice parameter a = 11.366(3) Å, b = 8.586(5) Å, c = 19.894(11) Å, α = 90°, β = 100.27(2)°, γ = 90° and volume = 1910.3(12) Å 3 . TG–DTA-DSC analysis exposes the melting and decomposition temperature of 4CBPTH as 154 °C and 289 °C, respectively. UV–Vis-NIR absorbance studies show 4CBPTH crystal possesses absorbance maxima in the UV region (319 nm) and minimal absorbance in visible and infrared region. Density functional theory (DFT) calculations reveal that the bandgap between HOMO and LUMO is 4.558 eV which reveals the strength of intermolecular hydrogen bonds between anion and cation of synthesized molecule. Intermolecular interactionand Molecular electrostatic potential Map (MEP) in 4CBPTH crystal is analysed by Hirshfeld surface and 2D fingerprint plots. Nonlinear optical properties were studied by Z-scan technique using two different laser source diode laser (785 nm, 50 mW) and Nd:YAG laser (532 nm, 10 Hz, 9 ns). Interestingly,4CBPTH exhibit saturable absorption under CW IR laser excitation and reverse saturable absorption under nano pulsed laser excitation. 4CBPTH exhibit two-photon absorption induced optical limiting behaviour with an onset optical limiting threshold of 8.5 × 10 12 W/m 2 , which makes them suitable for laser safety devices against green nano pulsed laser excitation.