Studies on growth, crystal structure and characterization of novel organic nicotinium trifluoroacetate single crystals

► Good quality crystals of nicotinium trifluoroacetate in monoclinic system were grown for first time. ► Nicotinium trifluoroacetate crystal exhibits third order nonlinear optical properties. ► The optical spectrum of nicotinium trifluoroacetate crystal reveals the wide transmission in the entire range with cutoff wavelength at 286 nm. ► Nicotinium trifluoroacetate is a low dielectric constant material. An organic material, nicotinium trifluoroacetate (NTF) was synthesized and single crystals in monoclinic system were grown from aqueous solution for the first time. Its solubility and metastable zone width were estimated. The crystal structure of NTF was analyzed to reveal the molecular arrangements and the formation of hydrogen bonds in the crystal. High-resolution X-ray diffraction rocking curve measurements were performed to analyze the structural perfection of the grown crystals. Functional groups in NTF were identified by Fourier transform infrared spectral analysis. Thermal behaviour and stability of NTF were studied by thermogravimetric and differential thermal analysis and differential scanning calorimetry. Mechanical and dielectric properties of NTF crystals were analyzed. Optical studies reveal that NTF crystals are transparent in the wavelength range 286–1100 nm. The third order nonlinear optical parameters of NTF were derived by the Z-scan technique.