23Na‐NMR Data Based Donor Number and Their Correlation with Solvatochromic Parameters in Binary Solvent Mixtures

Abstract Donor numbers ( DN s) of binary mixtures of acetonitrile with methanol, ethanol, ethylene glycol, 1‐butanol, and tert‐butanol were calculated in the whole range of mole fractions based on 23 Na‐NMR chemical shift of sodium perchlorate dissolved in solvent. Data showed positive deviation from hypothetical linear ideal behavior. Solvatochromic parameters including empirical polarity, dipolar/polarizability, hydrogen bond donor, and hydrogen bond acceptor of the solvent mixtures were spectrophotometrically measured in order to investigate the correlations among parameters. The trend of data showed the preferential solvation along with synergistic behavior in some of mixtures. Applying preferential solvation model confirmed the solvent‐solvent interactions in the studied binary mixtures. Although no reasonable correlation was observed between DN with solvatochromic parameters, dual‐parameters regressions showed that some of solvatochromic parameters have linear relationships with DN . The presence of solvent‐solvent interactions in the media caused that the solvent mixtures didn't follow the known correlations as reported before.