Investigation of structural, optical, and thermal properties of 2-amino-4,6-dimethylpyrimidine benzoic acid (2APB) single crystal for non-linear optical (NLO) applications

The 2-amino-4,6-dimethylpyrimidine benzoic acid (2APB) single crystal has been successfully grown by the slow evaporation method by using water as a solvent. The single-crystal X-Ray diffraction (SXRD) analysis gives knowledge about the structure and morphology of the 2APB crystal. The Powder X-ray Diffraction (PXRD) pattern of grinded 2APB crystal was compared with standard CIF file and the peaks were indexed with their corresponding miller indices (hkl). The crystalline perfection of the grown 2APB single crystal was analysed using high-resolution X-ray diffraction (HR-XRD) measurement. The various functional groups and their vibrational assignments were studied using the Fourier-transform infrared (FTIR) spectrum analysis. The 2APB crystal has a lower cut-off wavelength of 325 nm, which is evident from the UV–visible–NIR analysis. The defects and etch pit density of 2APB crystal were examined using chemical etching studies. The 2APB crystal was thermally stable up to 140 °C, which was evident from the thermogravimetric (TG) and differential thermal analysis (DTA). The photoconductivity analysis was carried out to calculate the photo and dark current values. The laser damage threshold (LDT) value was determined using a 532 nm Nd:YAG laser in single shot mode. The third-order non-linear optical (NLO) susceptibility (χ (3) ) value was calculated from Z-scan technique, which involves open and closed aperture measurements.