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Étude Theorique de la Prototropie des Imidazolide-5 (4)-Ones

1979; Wiley; Volume: 88; Issue: 5 Linguagem: Inglês

10.1002/bscb.19790880504

0037-9646

Abderrahim Sayarh, Michel Gelize‐Duvigneau, J. Arriau, A. Maquestiau,

Chemical Reaction Mechanisms

Abstract The theoretical study of the tautomeric equilibrium of imidazoline‐5 (4)‐ones carried out by two different routes, eg: ‐energetic analysis of the molecular entities with consideration of the solvation term. ‐examination of the protonation sites of the common anion shows that, in agreement with the experimental results, the preponderant tautomeric form, as well in the vapor as in solution, is the non conjugated carbonyl form.