Growth, structural, optical and thermal properties of a new semiorganic NLO crystal: L-prolyl mercury (II) chloride

Abstract

A new semiorganic crystal l-Prolyl Mercury (II) Chloride (LPMC), with molecular formula C5H7Cl2Hg NO2 has been grown from aqueous solution by employing slow evaporation technique. The crystal structure of LPMC has been determined from single crystal X-ray diffraction data and it crystallizes with two independent molecules in the asymmetric unit. The LPMC crystallizes in orthorhombic system with space group P212121, cell parameters a=7.1638 (6)Å, b=13.5231 (14)Å, c=18.5866 (18)Å, α=90°, β=90° and γ=90°. The vibrations of functional groups were studied by FT-IR and FT-Raman analysis. The chemical environment of carbon and hydrogen in the grown crystal was confirmed by nuclear magnetic resonance (NMR) studies. The thermal stability of the compound was studied by thermogravimetric analysis (TGA) and differential thermal analysis (DTA) and the crystal is found to have been stable up to 180°C. Ultraviolet–visible-Near infrared (UV–vis-NIR) spectral analysis reveals that the crystal is transparent in the wavelength range of 250–1100nm. The second harmonic generation (SHG) efficiency of LPMC crystal was determined after applying Kurtz and Perry powder test. The SHG efficiency is 1.257 times that of potassium dihydrogen phosphate (KDP).