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<p>The electronic absorption spectra of alizarin yellow GG (AYGG) were recorded in various aqueous binary mixtures, ranging from pure water to pure cosolvent (0 to 1 volume fraction). The preferential solvation behavior of AYGG in these mixed solvents was analyzed using the solvent exchange model, exploring the relationship between the empirical solvent polarity scale (<i>E</i><sub>T</sub> values) and solvent composition. Non-linear solvatochromic behavior of AYGG was observed across all aqueous mixtures. The local mole fractions of each solvent in the cybotactic region around the solute were determined to evaluate how the composition of the solvating shell influences preferential solvation. This analysis accounted for both solute–solvent and solvent–solvent interactions. Results indicated that the solvation shell of AYGG becomes saturated with a solvent complex (<i>S</i><sub>12</sub>), following the order: acetonitrile &gt; ethanol &gt; methanol &gt; dioxane. Spectral data in binary mixtures were further interpreted using the McRae equation, considering both refractive index and dielectric constant. It was found that the polarity function <i>f</i>(<i>n</i>) (based on refractive index) had a greater impact on spectral shifts than the combined polarity function <i>f</i>(<i>ε,n</i>), highlighting the dominant role of dispersion interactions. Additionally, solvatochromic shifts in the binary solvent systems were analyzed using Kamlet–Taft (KAT) parameters within a multi-model framework. The results demonstrated that the hydrogen bond donating and hydrogen bond accepting abilities (specific interaction) have a greater influence on the spectral behavior of AYGG.</p>

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The Solvation Ability of Alizarin Yellow GG in Aqueous Binary Systems Contributed to the Solvent Entities in a Cybotactic Region: Solvatochromism, Solvation Parameters, and Regression Analysis Approach

  • 期刊论文

  • 发表日期：

    2026年1月5日

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  • Sokaina Saad Hemdan,
  • Asma Mansour,
  • Radwan Alnajjar

摘要

The electronic absorption spectra of alizarin yellow GG (AYGG) were recorded in various aqueous binary mixtures, ranging from pure water to pure cosolvent (0 to 1 volume fraction). The preferential solvation behavior of AYGG in these mixed solvents was analyzed using the solvent exchange model, exploring the relationship between the empirical solvent polarity scale (ET values) and solvent composition. Non-linear solvatochromic behavior of AYGG was observed across all aqueous mixtures. The local mole fractions of each solvent in the cybotactic region around the solute were determined to evaluate how the composition of the solvating shell influences preferential solvation. This analysis accounted for both solute–solvent and solvent–solvent interactions. Results indicated that the solvation shell of AYGG becomes saturated with a solvent complex (S12), following the order: acetonitrile > ethanol > methanol > dioxane. Spectral data in binary mixtures were further interpreted using the McRae equation, considering both refractive index and dielectric constant. It was found that the polarity function f(n) (based on refractive index) had a greater impact on spectral shifts than the combined polarity function f(ε,n), highlighting the dominant role of dispersion interactions. Additionally, solvatochromic shifts in the binary solvent systems were analyzed using Kamlet–Taft (KAT) parameters within a multi-model framework. The results demonstrated that the hydrogen bond donating and hydrogen bond accepting abilities (specific interaction) have a greater influence on the spectral behavior of AYGG.