Synthesis, structure, growth and physical properties of a novel organic NLO crystal: 1,3-Dimethylurea dimethylammonium picrate

Abstract A novel noncentrosymmetric crystal was prepared from 1,3-dimethylurea dimethylammonium picrate, C11H18N6O8 (DMUP), which was designed for second harmonic generation. DMUP crystals exist in noncentro symmetric space group Cmc21 with unit cell dimensions a = 14.288(4) A, b = 17.023(5) A, c = 6.8268(13) A, α = β = γ = 90° and volume = 1660.5(8) A3. The crystal structure of DMUP has been determined using single crystal X-ray diffraction studies. The single crystals of DMUP were successfully grown by the slow evaporation method with dimensions 10 mm × 4 mm × 3 mm using dimethylformamide as solvent. The structural perfection of the grown crystals has been analysed by High-resolution X-ray diffraction (HRXRD) rocking curve measurements. Powder test with Neodymium-doped Yttrium aluminum garnet (Nd:YAG) laser radiation shows a high second harmonic generation (SHG). The laser induced surface damage threshold for the grown crystal was measured using Nd:YAG laser.