Synthesis, growth, and characterization of 3-(4-Methoxyphenyl)-1-(pyridin-2-yl) prop-2-en-1-one single crystal: A potential NLO material

New nonlinear optical chalcone material, 3-(4-Methoxyphenyl)-1-(pyridin-2-yl) prop-2-en-1-one (MPP) has been synthesized and grown as a high quality single crystal by the slow evaporation solution growth technique using acetone as solvent. The grown crystals were characterized by Fourier transform infrared (FTIR) spectroscopy, Laser Raman spectroscopy, FT-NMR spectroscopy, single crystal X-ray diffraction (XRD), thermal analysis and UV-VIS-NIR spectroscopy. The presence of functional groups was confirmed by FTIR and Laser Raman spectroscopic analysis and the structural elucidation was done using FT-NMR spectral analysis. Thermo gravimetric analysis shows that initial weight loss of the material is found at around 160 °C. MPP crystallizes with non-centrosymmetric Pna21 space group with cell parameters a = 25.6311(3) Å, b = 11.6419(2) Å, c = 3.9742(1) Å and volume = 1185.88(4) Å3. The powder Second Harmonic Generation (SHG) conversion efficiency is found by Kurtz powder technique and is 4.7 times more than that of urea. The UV-VIS-NIR absorption spectral analysis revealed that the crystal can be used for down conversion of the laser wavelength up to 410 nm. The observed SHG efficiency of the MPP crystal is attributed to zig-zag head-to-tail alignment of molecular dipoles in crystallographic c-direction which results in establishing net polarization in the bulk crystal.