Journal of Crystal Growth, Vol.318, No.1, 1021-1025, 2011
Studies on the synthesis, growth, crystal structure, and physical properties of a novel nonlinear optical crystal: Glycine 3,5-dihydroxybenzoic acid
A noncentrosymmetric crystal was prepared from glycine and 3,5-Dihydroxybenzoic acid, which was designed for second harmonic genernation. Good quality single crystals of Glycine and 3,5-Dihydroxybenzoic acid (GDHB) were successfully grown by the slow evaporation method with dimensions 18 x 5 x 4 mm(3). The crystal structure of GDHB has been determined, and it belongs to the noncentrosymmetric space group Pca2(1). The (1)H NMR and (13)C NMR spectra were recorded to confirm the molecular structure. Density functional theory at the B3LYP/HF6-31 G(d,p) level has been used to compute the first order hyperpolarizability of GDHB. Fourier transform infrared (FTIR) spectral study has been performed to identify the functional groups. Thermo gravimetric analysis (TGA) and differential thermal analysis (DTA) were used to study its thermal properties. Powder test with Nd:YAG laser radiation shows a second harmonic generation. The laser induced surface damage threshold for the grown crystal was measured using Nd:YAG laser. (C) 2010 Elsevier B.V. All rights reserved.