Title of article
QUANTUM-CHEMICAL INVESTIGATION OF KETO–ENOL–ENETHIOL TAUTOMERISM IN 3-OXO-3-R1-N-R2-PROPANETHIOAMIDES
Author/Authors
Il’chenko، N.N. نويسنده , , Britsun، V.N. نويسنده , , Lozinskii، M.O. نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2005
Pages
6
From page
284
To page
289
Abstract
The keto–enol–enethiol tautomerism in 3-oxo-3-R^1-N-R^2-propanethioamides under vacuum and in acetone was studied in terms of density functional theory. It was established that the equilibrium depends on the structure of the 3-oxo-3-R^1-N-R^2-propanethioamides and on the nature of the solvent, but the most stable form is as a rule the keto form stabilized by an intramolecular hydrogen bond.
Keywords
3-oxo-3-R^1-N-R^2-propanethioamides , keto–enol–enethiol tautomerism , Density functional theory , quantum-chemical calculations
Journal title
Theoretical and Experimental Chemistry
Serial Year
2005
Journal title
Theoretical and Experimental Chemistry
Record number
122462
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