Abstract
The nonlinear optical (NLO) and antiviral properties of naphthalimide Schiff base compounds (5a-c) were experimentally and computationally investigated. The synthesized compounds (5a-c) were successfully characterized via UV-Vis, FTIR, 1H NMR, fluorescence spectroscopy, and elemental analysis. The calculated average third-order NLO polarizabilities ( gamma gamma amplitude of p-NA, respectively. The computed results revealed the potential of the synthesized compounds for NLO applications. Additionally, molecular docking studies of the synthesized compounds with two crucial SARSCoV-2 proteins were performed to examine their biochemical properties. Compound 5c exhibited a higher binding affinity with the spike protein compared to that with MFRx1d3c;. The results obtained herein indicate the potential of the synthesized naphthalimide derivatives for optoelectronic and drug design applications.