Advanced spectroscopic approach for exploring the structural, optical, and electronic properties in dye-functionalized chitosan biopolymers

This study employed advanced spectroscopic techniques to investigate the structural and optical properties of chitosan (CS) biopolymer films modified with natural dyes from Cosmos Sulphureus Cav. (CSC) flowers. FTIR results indicated that the inclusion of CSC dyes led to broader absorbance and decreased transmittance. Distinct absorption regions were identified, and the optical energy band gap (OEBG), transport gap, and exciton binding energy were calculated using Tauc's method. The OEBG was found to be 5.44 eV for CS while for CS-CSC dye samples, it dropped to 2.24 eV and The Urbach energy increased from 0.44 eV to 0.60 eV, indicating the presence of high tail states in the band gap region. The electron-phonon interaction was found to increase from 11.35 to 15.58. The oscillator energy values (4.13 eV-2.33 eV) at low energies obtained using Wemple-DiDomenico model are found to be close to OEBGs using Tauc's model. Additionally, from the Drude-Lorentz model the N/m* was found to increase from 1.69 × 10⁵² to 1.27 × 10⁵⁴. The third order non-linear polarizability parameter, the linear optical susceptibility and the non-linear index of refractions were all found to increase upon increasing the CSC dye concentrations.