Novel material for second harmonic generation: 3-Amino-1,2,4-triazolinium(1+) hydrogen l-tartrate

The X-ray structural analysis of 3-amino-1,2,4-triazolinium(1+) hydrogen l-tartrate has been carried out. This organic salt crystallises in the monoclinic space group P21, a=7.7130(2) Å, b=6.7690(2) Å, c=9.2170(3) Å, β=95.726(2)°, V=478.81(2) Å3, Z=2, R=0.0255 for 5922 observed reflections. The crystal structure is formed by a 3D network of hydrogen l-tartrate anions (interconnected by O–H⋯O hydrogen bonds) with 3-amino-1,2,4-triazolinium(1+) cations located in the cavities of this network and connected with anions via N–H⋯O and O–H⋯N hydrogen bonds. The FTIR and FT Raman spectra were recorded, calculated and discussed. Quantitative measurements of second harmonic generation of powdered 3-amino-1,2,4-triazol-4-ium hydrogen l-tartrate at 800nm were performed and a relative efficiency of 50% (compared to KDP) was observed.