Research Article
Spectrometric Study of the Nitrile-Ketenimine Tautomerism
Table 1
Heats of formation and relative stabilities of the tautomeric forms of ethyl-4,4-dicyano-3-methyl-3-butenoate by AM1 calculations.
| Tautomer | , kcal mol−1 | , kcal mol−1 |
| I | | −24,18846 | 0 |
| II | | −6,2391 | 17,94936 |
| III | | −8,38831 | 15,80015 |
| IV | | 3,558174 | 27,746634 |
| V | | −8,176637 | 16,011823 |
| VI | | −8,175188 | 16,013272 |
| VII | | 17,81065 | 41,99911 |
| VIII | | 17,98366 | 42,17212 |
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