Discussion on structural, optical, thermal, mechanical, dielectric and third-order NLO properties of 3-Nitroanilinium chloride single crystals for optoelectronic applications

Preferable, third-order nonlinear optical (NLO) single crystal, 3-Nitroanilinium chloride (3NACL) was auspiciously synthesised by slow evaporation technique. The crystal system of the 3NACL triclinic with centrosymmetric space group $${\text{P}}\bar{1}$$ identified single-crystal XRD studies. All functional groups present in sample and its respective vibrations were analysed through FTIR analysis. UV–Vis transmittance spectrum revealed that material showed 83% cut-off wavelength 281 nm. mechanical stability thermal property grown crystals ascertained Vickers microhardness analysis TG/DTA intermolecular interaction scrutinized Hirshfeld surface Dielectric studies dielectric constant loss high at lower frequency region due to charge polarization. Inclusion-free used analyse Laser damage threshold (LDT) calculated LDT value 4.3 GW/cm2. NLO parameters (β = 7.5472 × 10–12 m/W, η2 5.6931 10–19 m2/W, χ3 2.9491 10–13 esu) statutorily evaluated Z-scan Here, β positive, saturated absorption self-focusing effect as observed open closed aperture z-scan curve. Above all these findings, a suitable for optoelectronic applications.