Organic non linear optical single crystals of Pridinium (2R,3R)-tartrate (PY2R3RT) was grown by slow evaporation technique at room temperature. Single Crystal X-ray diffraction analysis confirms the crystal structure of grown PY2R3RT and it revealed that the grown crystal crystallized in orthorhombic crystal system with space group P212121. The experimental structural parameters were compared with the theoretical values by DFT method. FTIR analysis illustrates all the functional groups present in the grown crystal. UV–Visible Spectral analysis explains the transmittance ability, optical band gap, linear refractive index and extinction coefficient of the grown crystal. The HOMO-LUMO and MESP maps were generated and analysed by using Gaussian ’09 software package. Kurtz Perry powder technique confirms the linear optical property of the grown PY2R3RT single crystals. The thermal stability and melting point of the synthesized material was analyzed by using TG/DTA studies. Vickers microhardness test explains the mechanical strength, Meyer index, Yield strength and elastic stiffness of PY2R3RT were studied by using.
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