Synthesis, growth, structural, spectral, linear and nonlinear optical and mechanical studies of a novel organic NLO single crystal 4-Bromo 4-Nitrostilbene (BONS) for nonlinear optical applications

Single crystal of 4-Bromo 4-Nitrostilbene (BONS), a new organic nonlinear optical material was synthesized and crystals were grown with dimensions up to 8 × 6 × 3 mm3 from ethyl methyl ketone (EMK) solvent by slow evaporation method. Single crystal X-ray diffractometer was used to measure the unit cell parameters and confirmed the BONS structure as orthorhombic with the space group P212121. The sample has been subjected to powder X-ray diffraction to identify the crystalline nature and the prominent peaks were indexed. The functional groups were identified from Fourier transform infrared (FTIR) spectral analysis. Proton NMR analysis confirms the protonation in the structure of the title compound. Optical behaviour of BONS has been observed by UV–Vis absorption spectral analysis which shows the low cut off wavelength lies at 405 nm and found that the energy band gap of the crystal is 2.90 eV. Thermal stability of the material has been confirmed by TG/DTA analyses. The BONS compound formation analyzed by mass spectroscopic analysis. The mechanical strength of the crystal was found using Vickers microhardness measurement. The laser damage threshold (LDT) for the grown crystal was measured by using Nd:YAG laser. Photoluminescence spectrum indicated green light emission at 515.44 nm. The Kurtz powder second harmonic generation test shows that the BONS crystal (1.5 V) is a very potential NLO candidate for optical generation and it has SHG efficiency 69 times greater than that of KDP (21.7 mV).

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► New nitrostilbene derivative BONS with SHG efficiency of 69 times that of KDP.
► 4-Bromo 4-Nitrostilbene (BONS) single crystals are grown using slow evaporation method.
► 1H NMR confirms the structure of the BONS crystal.
► The laser damage threshold of BONS was found to be 254.78 Mw cm−2.
► We confidently conclude that the BONS is an excellent NLO material.