Correlation analysis of the solubility of organic compounds: influence of the polarizability effect

Russian Chemical Bulletin(2022)

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摘要
Literature data on the solubility ( Sol ) and Gibbs energy of dissolution (Δ G °) reported for 26 series of derivatives of benzene, pyridine, and fluorocarbons in various solvents were considered using correlation analysis. An excess charge appears on the reaction center due to the formation of weak solute—solvent complexes, which results in the manifestation of polarizability effect. It was established for the first time that the values of Sol and Δ G ° depend on the joint influence of inductive, resonant, polarization, and steric effects of substituents, whereas contribution of the polarizability effect reaches 50%.
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关键词
solubility,Gibbs energy of dissolution,classic electronic effects,polarizability effect
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