Abstract
IR spectroscopy was used to show that 2-acetylcyclopentanone (2-ACPN) exists in solutions of aprotic organic solvents as a mixture of three tautomeric forms. Assignments of absorption bands in IR spectra of 2-ACPN and its deuterated analog 2-ACPN-d1 were made based on calculations of normal mode frequencies by a B3LYP/6-311++(2 d,2p) method for the gas phase and taking into account the influence of aprotic solvents in the framework of a polarizable continuum model (PCM). The enol–enol tautomeric equilibrium constant was evaluated for 2-ACPN-d1 in solutions of the aprotic solvents. The content of the diketo form of 2-ACPN was shown to depend strongly on the solvent polarity and increased with it.
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