Experimental and Theoretical Studies on Various Linear and Non-linear Optical Properties of 3-Aminopyridinium 3,5-Dinitrobenzoate for Photonic Applications

3-Aminopyridinium 3,5-dinitrobenzoate (APDNBA), an organic non-linear optical crystal was synthesised and grown from slow evaporation solution growth technique. Single-crystal XRD and powder XRD were performed to identify and confirm the crystalline nature of the grown crystal. Various characterizations like UV-Vis-NIR studies and fluorescence studies were conducted to determine the optical transparency and emission property of the APDNBA crystal. FTIR analysis was carried out to confirm the formation of the charge-transfer complex. The overall stability of the compound was verified employing thermal, mechanical and laser damage threshold studies. Dielectric measurement was utilised to evaluate the electronic polarisability character of the grown crystal. Non-linear optical activity of the grown crystal was analysed through Kurtz-Perry powder technique and Z-scan studies. The optical limiting and switching applications of the compound were confirmed by the non-linear studies. Additionally, quantum chemistry calculations were carried out to predict the chemical stability, chemical reactivity, and non-linear character of the APDNBA molecule. The formulations was done based on density functional theory (DFT) with the Gaussian09 suite, using B3LYP functional of 6-31++G*(d,p) level of theory. Based on the obtained results, the grown crystal of APDNBA could be recommended as a resourceful non-linear optical candidate for opto-electronic and photonic applications.