Growth and physiochemical characterization studies on 4-chloro-2-nitroaniline nonlinear optical single crystals

The non-centrosymmetric space group organic nonlinear optical single crystal of 4-chloro-2-nitroaniline (4Cl2NA) was developed by slow evaporation method at 40 °C. Grown 4Cl2NA was monoclinic structure with Pc space group which was recognized by single-crystal XRD analysis. An intermolecular contact of 4Cl2NA was visually analysed by Hirshfeld surface analysis. Active functional groups and their respective vibrations were identified by FTIR and FT-Raman spectral analysis. Optical properties were evaluated by UV–Visible spectral analysis. Thermal TG/DTA thermogram analysis and mechanical Vickers hardness analysis revealed that the synthesis material was thermally stable up to 115 °C and mechanical work hardness coefficient (n?=?2.98) confirmed the grown crystal was soft material. Laser beam-irradiated LDT analysis expressed the laser utility limitation of the 4Cl2NA crystal. The NLO second harmonic generation efficiency was tested by Kurtz Perry powder method.