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Novel nonlinear optical semi-organic, potassium phthalate di lithium borate (KPDLiB) single crystals were successfully grown by the slow solvent evaporation technique. Good crystalline nature and an orthorhombic structure were confirmed by powder X-ray diffraction and single crystal X-ray diffraction studies. The functional groups of KPDLiB were identified using FT-IR spectrum recorded in the range of 4000 cm −1  to 450 cm −1 . UV-Vis spectrum showed transmitting ability of the crystals in the entire visible region. The photoluminescence spectrum exhibited good fluorescence emission in a visible region at 384 nm, 416 nm and 578 nm. The second harmonic generation efficiency of the grown crystal was evaluated from Kurtz powder technique.

Growth, structural and optical properties of novel nonlinear optical potassium phthalate di lithium borate (KPDLiB) single crystals