Growth, structural, mechanical and advanced optical analysis of l-glutamic hydrobromide single crystal

Semi-organic derivatives of non-linear optical materials are widely used nowadays due to their high nonlinear efficiency and quick reaction in electro-optic switches. Hence, in order to observe this behavior, the Slow Evaporation Solution Growth Technique was used to grow single crystals of the semi-organic compound l-glutamic hydrobromide. Powder X-ray diffraction was used to validate the structural parameter of the single crystal. The resulting crystal’s crystalline perfection was evaluated using a high-resolution X-ray diffractometer. UV–Vis Spectroscopy and Photoluminescence spectroscopy were carried out to examine the eligibility of the material for optical application by estimating their corresponding optical parameters. The Z-scan method was used to further explore nonlinear optical phenomena in both the open and closed aperture. Shock damage threshold approach was utilized to estimate the mechanical shock strength above which the crystal begins to break by any external force. The Terahertz spectroscopic technique was also employed to examine the nature of the crystal with the THz-TDS spectroscopy. The density functional theory analysis has been carried out in order to evaluate various parameters through quantum mechanical calculations i.e., Frontier molecular orbital, Molecular electrostatic potential, Reduced density gradient and Mulliken atomic charges.