Theoretical study of the effect of water clusters on the enol content of acetone as a model for understanding the effect of water on enolization reaction

The enolization of simple carbonyl compounds is a key reaction for many chemical and biochemical processes. Numerous theoretical and experimental studies have been done to probe aspects of the mechanism of this reaction. In this work, the effect of small water clusters, (H 2 O) n , n  = 1–9, on the...

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Veröffentlicht in:	Structural chemistry 2021-12, Vol.32 (6), p.2333-2340
Hauptverfasser:	Tohidi Nafe, Zahra, Arshadi, Nematollah
Format:	Artikel
Sprache:	eng
Schlagworte:	Acetone Carbonyl compounds Carbonyls Chemistry Chemistry and Materials Science Clusters Computer Applications in Chemistry Density functional theory Hydrogen bonding Moisture content Original Research Physical Chemistry Tautomers Theoretical and Computational Chemistry
Online-Zugang:	Volltext
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