Crystal growth, structural, optical, thermal, and mechanical properties of new bis(2-amino-6-methyl pyridinium barbiturate) tetrahydrate organic single crystal for nonlinear optical applications

Abstract

In the present work, a new supramolecular synthon material of bis(2-amino-6-methyl pyridinium barbiturate) tetrahydrate (2A6MBA) has been grown as a single crystal by slow evaporation solution growth method at ambient temperature. The structure of the grown crystal was resolved by single crystal X-ray diffraction (SXRD). It was revealed that the grown 2A6MBA crystal crystallizes in a triclinic crystal system with the centrosymmetric space groupP1¯. The crystallanity of the synthesized 2A6MBA crystal was confirmed through powder X-ray diffraction studies (PXRD). 1H nuclear magnetic resonance (NMR) spectra of the crystal confirmed the various hydrogen exposes of the 2A6MBA structure and the series of functional groups were illustrated through Fourier transform infrared (FTIR) spectral analysis. Ultraviolet-visible (UV–vis) spectrometer exposed that the synthesized grown 2A6MBA crystal has a lower cut-off wavelength and a wide transmission window, which makes it suitable for optoelectronic applications. The photoluminescence (PL) spectrum illustrated the emission of light at 378 nm with an excitation wavelength of 349 nm. In thermo-gravimetric differential scanning calorimetric (TG-DSC) analysis, thermal stability, melting point, and weight loss of the grown 2A6MBA crystal were examined. The Vicker's microhardness test perceived the hardness related parameters of the grown 2A6MBA crystal to analyze its suitability for post growth device fabrications. The growth feature of 2A6MBA crystal was revealed through chemical etching analysis. Second harmonic generation (SHG) studies explore the nonlinear optical property of the grown 2A6MBA crystal.