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An NMR study of phenol self-association
Authors:Yu S Bogachev  L K Vasianina  N N Shapet'ko  T L Alexeeva
Abstract:This paper presents a study of the chemical shift of the phenol hydroxyl group as a function of concentration and temperature in cyclohexane, methylcyclohexane and carbon tetrachloride solutions. The chemical shift of monomeric phenol has been found. For these solutions monomertrimer equilibrium is observed within the entire temperature range and within a wide concentration range. At low phenol concentrations, from 1 to 3 mole-%, the monomer-dimer equilibrium is observed in cyclohexane, methylcyclohexane and carbon tetrachloride solutions. Chemical shift of the hydroxyl group of trimeric phenol is temperature-dependent. From the experimental data the association constants and thermodynamic functions of the systems under study have been determined. The association constants differ for the above systems at the same temperatures. Association entropy ΔS changes from one system to another, while ΔH is the same for all systems.
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