Solvent effect and intensity dependence on NLO behaviour of thiazole-furan chromophores: An optical limiting application

Abstract

This study deals with the synthesis, structural characterization, and nonlinear optical properties of thiazole-furan-based push-pull chromophores. Experimental and computational methods have been used to investigate the unique features and potential optical limiting applications. Synthesized chromophores were confirmed using ¹H and ¹³C NMR spectroscopy. Density Functional Theory calculations in polar and nonpolar solvents were employed to evaluate how solvent interactions influence the electronic properties and stability of the molecules. Vibrational mode assignments were performed using normal coordinate analysis, providing insight into the molecular vibrations. Furthermore, Natural Bond Orbital analysis offered a detailed examination of the charge distribution and electronic delocalization patterns within the chromophoric system. The nonlinear optical properties were investigated using the Z-scan technique to determine their nonlinear absorption coefficients and suitability for optical limiting applications. These findings emphasize the compounds' enhanced hyperpolarizabilities, excellent thermal stability, and potential for use in advanced photonic devices. This research highlights the importance of solvent effects and molecular conformation in designing high-performance materials for next-generation photonic technologies.