A 1H NMR study of hydrogen bonding and complexation processes of trimethylacetic acid in acetone

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Abstract
The carboxyl proton chemical shifts of trimethylacetic acid, which was dissolved in acetone and in binary mixtures of acetone and cyclohexane, have been measured as a function of concentration at temperatures of 0, +15, +30, +45 and +60 °C. The results obtained for the system studied, using the equilibrium constant method for interpretation of experimental data, indicate that the molecular association through hydrogen bonds occurs as a monomer‐cyclic dimer‐1:1 complex equilibrium process in the low concentration range (up to 0·08 mol fraction). The equilibrium constants of complexation and dimerization, the chemical shifts of the acid in the complex, and the thermodynamic parameters of complexation and dimerization have been calculated.