Growth, spectral, optical, thermal, crystallization perfection and nonlinear optical studies of novel nonlinear optical crystal—Urea thiosemicarbazone monohydrate

Single crystals of organic nonlinear material urea thiosemicarbazone monohydrate (UTM) have been grown by slow evaporation method. The grown crystals were characterized by single crystal X-ray diffraction analysis reveals that sample crystallized in triclinic system with noncentrosymmetric space group P1. Powder XRD pattern confirmed that grown crystal posses highly crystalline nature. FTIR spectrum was recorded to identify the presence of functional groups and molecular structure was confirmed by 1H NMR spectrum. Material confirmation of title compound has been performed by using mass spectroscopic analysis. Elemental composition of grown crystal was confirmed by energy-dispersive spectrometry (EDS). To study the crystalline perfection of the grown crystals, high-resolution X-ray diffraction (HR-XRD) study was carried out. Thermogravimetric and differential thermal analyses were employed to understand the thermal and physio-chemical stability of the synthesized compound. UV–Vis-NIR spectrum revealed the transmission properties of the crystal specimen. Relative SHG efficiency is measured by Kurtz and Perry method and found to about 0.89 times that of standard potassium dihydrogen phosphate (KDP) crystals.

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► Spectral studies of novel UTM crystal reported first time in literature.
► Crystal shows good transmittance from 270 to 1100 nm.
► Sharp endothermic peak in TG/DTA at melting point shows good crystalline nature.
► From SHG studies, it is known that UTM is potential NLO crystal.