| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5416436 | Journal of Molecular Structure: THEOCHEM | 2010 | 10 Pages |
Abstract
A study of the effect of stereoelectronic structure of captodative enamines on protonation site has been carried out by means B3LYP/6-311G**, B3LYP/6-311++G** and MP2/6-311G**//B3LYP/6-311G** calculations. The presence of CF3 group in trifluoromethylated enamines levels the energy of their N- and C-protonation. Its value and regioselectivity of protonation depends on both the nature of amine moiety and the solvent.
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Chemistry
Physical and Theoretical Chemistry
Authors
N.N. Chipanina, T.N. Aksamentova, B.A. Shainyan, A.Yu. Rulev,