EFFECT OF RING IN IMINES AND ENAMINES TAUTOMERISM IN GAS PHASE AND SOLUTION: A COMPUTATIONAL STUDY
Tautomeric structures from imine-enamine equilibria with rings of different size were geometrically optimized at the B3LYP/6-311++G** level of theory. Then important molecular parameters, IR frequencies, NBO and dipole moment results in the gas phase and solution were extracted. The energetic result...
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| Auteurs principaux: | , , , |
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| Langue: | English |
| Publié: |
Sociedad Chilena de Química
2013
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| Accès en ligne: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072013000200003 |
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