Investigation on Computational, Hirshfeld, Surface Morphology, Thermal, Shock Damage Threshold, and Phase Matching Properties of an Iminodiacetic Acid Single Crystal for Second Harmonic Generation

A transparent iminodiacetic acid single crystal was grown via a slow evaporation solution growth technique. Its intermolecular interaction was investigated by Hirshfeld analysis with crystal explorer software. Computational analysis was performed on the molecule by Gaussian 09W software using B3LYP/ LanL2MB and 3-21G as basis sets. The growth patterns were identified for the grown crystal by etching with deionized water. Thermal properties like melting, decomposition, and stability were examined by TG-DSC analysis. The shock damage threshold of crystal was obtained to be “15” shocks of strength 1.7 Mach number. The laser damage threshold of the grown crystal was found to be 1.05 GW/cm² for a single shot by using a continuous wave laser with a 1.5-mW power density. The second harmonic generation of the grown crystal was demonstrated by generating green light from an infrared light of 1064-nm wavelength with an external phase matching angle of 7.9° ± 1°. Graphical Abstract: [Figure not available: see fulltext.]