A Comprehensive Investigation of Solvatochromism and Solvation in Medicinally Significant Sulfa Drugs: Estimation of Excited State Dipole Moments
Keywords:
Dipole moment, Polarizability, Preferential solvation, Solvatochromic, Sulfa drugsAbstract
The solvatochromic properties of important sulfa drug molecules sulfadiazine (SDZ), sulfamerazine (SMZ) and sulfamethazine (STZ) were investigated in solvents of different polarities, including their solvation in a binary THF-Water solvent mixture. Steady-state absorption and fluorescence methods were utilized to analyse the absorption and fluorescence spectra of these compounds, which reveals the significant spectral shifts corresponding to changes in solvent polarity. Further insights on the solvatochromic characteristics of the examined drug molecules were obtained using Lippert-Mataga, Reichardt’s, Kamlet-Taft, and Catalan’s solvent polarity approaches. The study also identified synergistic effects in the THF-Water solvent mixture. Different solvatochromic techniques were employed to calculate the excited-state dipole moment of the studied molecules. The Bilot-Kawaski approach was utilized to investigate the influence of solute polarizability on the excited state dipole moment and the change in dipole moment. Top of Form
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