| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5417266 | Journal of Molecular Structure: THEOCHEM | 2009 | 6 Pages |
Abstract
The calculated relative energies of the tautomers and isomers of 3-methyl-4-nitroso-5-pyrazolone and 1-ethyl-3-methyl-4-nitroso-5-pyrazolone suggest that in solution the oxime tautomer is favoured. The second compound exists as a mixture of syn- and anti-oxime isomers. The coexistence of the oxime forms in solution corresponds to the available experimental NMR data.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Venelin Enchev, Silvia Angelova,