Synthesis, structural, thermal, mechanical, second harmonic generation efficiency and laser damage threshold studies of 4-dimethylaminopyridinium-3,5-dicarboxybenzoate trihydrate single crystal

Abstract

4-dimethylaminopyridinium-3,5-dicarboxybenzoate trihydrate was synthesized and single crystals grown by slow solvent evaporation solution growth technique at ambient temperature. The single crystal XRD analysis was carried out to establish the molecular structure of the title crystal. Further, the data indicate that the title salt crystallizes in orthorhombic crystal system with the non-centrosymmetric space group, Pna21. The established molecular structure was further confirmed by 1H and 13C NMR spectroscopic studies. The grown crystal has been subjected to FT-IR spectral study to identify the various functional groups. The UV–Vis–NIR transmission spectrum was recorded on powdered sample of crystal to determine the lower wavelength cut-off and optical band gap. The photoluminescence spectrum was recorded to investigate the luminescence properties of the salt crystal. The thermal and mechanical stabilities of the crystal were established by TG/DTA analyses and Vickers microhardness study, respectively. The dielectric studies of the grown crystal were executed at different temperatures as a function of frequency to investigate its electrical properties. The SHG efficiency of the title crystal was investigated and its value is 0.89 times that of KDP crystal. The laser damage threshold value is found to be 1.06 GW/cm2.