Novel Metal–Organic Framework and Crystal Engineering of Bismorpholinium Mercury(II) Tribromo Chloride (BMMC) for Optoelectronic Applications

Abstract

Optically transparent novel metal−organic nonlinear optical single crystals of bismorpholinium mercury(II) tribromo chloride (BMMC) were grown adopting a slow evaporation technique (SEST). The formation of a new crystalline structure and the morphology of the title material were revealed through single-crystal X-ray diffraction (SXRD). The space group of the title compound is found to be P2 1 /c in the monoclinic crystal system. The unit cell has four molecules adduced into it (the unit cell parameters of a, b, and c are 6.8056(6), 14.0027(10), and 17.2152( 14), respectively). The grown crystal's crystalline phase and crystalline quality were analyzed through a powder X-ray diffraction (PXRD) study. The formation of new molecular structures and multifarious functional groups was unveiled through nuclear magnetic resonance (NMR) and Fourier transform infrared spectrum (FTIR) analyses, respectively. The title compound is found to have a lower cutoff wavelength of 328 nm with 75% in the visible region. The crucial thermal parameters such as thermal stability, decomposition, and melting characteristics of the BMMC crystal have been determined using thermogravimetric analysis (TG) and differential thermal analysis (DTA) under a nitrogen atmosphere. The laser damage threshold of the grown crystal was found to be 2.242 GW/cm 2 with the irradiation of nanosecond, 1064 nm Nd:YAG laser. Third-order nonlinearity of the BMMC crystal was evaluated by Z-scan measurements. The optical limiting (OL) property of the crystal grown has an amplitude of 532 mW and a threshold of 28 mW, respectively.