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Vibrational and ultrasonic relaxation spectroscopic study of keto-to-enol tautomerism: The case of acetylacetone by I.G. Karvounis; P. Siafarika; A.G. Kalampounias is a scholarly article available to read on EtoBox.

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We report on a concentration-dependent Raman and ultrasonic relaxation study of the binary acetylacetone solutions in a wide mole fraction range. We combined vibrational and ultrasonic relaxation spectroscopies with DFT theoretical calculations for the systematic examination of the keto-to-enol tautomerism taking place in acetylacetone solutions with polar and non-polar solvent. Two sets of solutions were prepared with different solvents in terms of polarity. Raman spectra revealed that the keto and enol tautomers of acetylacetone coexist in solution and the keto tautomer is favored as the solvent polarity increases. A single Debye-type relaxation process is detected in the acoustic spectra, which is assigned to the interconversion process between ACAC tautomers. The isentropic volume change associated with the isomerization reaction was estimated from the acoustic data and found to decrease up to x∼0.2, while above this mole fraction reaches an almost constant value of ∼13.6 ml/mol, close to the theoretically estimated value of ΔVtheor,CCl4 =12.955 ml/mol in CCl4 solvent environment. The keto-to-enol isomerization in the dilute region was found to be strongly affected by the prese

Author

I.G. Karvounis; P. Siafarika; A.G. Kalampounias

Publisher

Elsevier BV

Published

2023

Language

EN