| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5395031 | Computational and Theoretical Chemistry | 2011 | 6 Pages |
Abstract
⺠The energy parameters of tautomerism in acetophenones were calculated by DFT method. ⺠The results show linear relations between log(Keq/KeqH) and Ïp, ÏR or R. ⺠The best correlation was observed when Ïp values were used as substituent constants. ⺠By the increase of electronegativity of substituent, Keq increases and k decreases.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hossein Tavakol,