Add time:07/29/2019         Source:sciencedirect.com

Glycine Lithium Sulphate (GLS), a non-centrosymmetric semi organic NLO single crystals were grown from aqueous solution with dimension of 10 x 11 x 12 mm3 by slow evaporation technique at room temperature using water as the suitable solvent. Crystalline phase and information on unit cell measurements of the grown Glycine Lithium Sulphate single crystal have been identified by using X-ray powder diffraction (PXRD) study with CuKα radiation. FT-IR spectra of the nonlinear optical material Glycine Lithium Sulphate crystal have been recorded and analyzed. The crystalline perfection has been examined by using High Resolution X-ray diffractometer (HRXRD) technique and found that the specimen quality is good. Optimization of the title compound is done using the Gaussian 09 software with B3LYP using 6-31 G (d, p) as basis set. From the HOMO-LUMO and hyperpolarizability analysis, the stability and the occurrence of strong intermolecular hydrogen bonding in the molecule is confirmed. Nonlinear optical absorption of the title compound has been studied at 633 nm using single laser pulses, using Z-scan technique. It is found that the GLS molecule is a potential candidate for optical limiting applications and optoelectronic device fabrications.

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