SOLVENT EFFECT ON THE VALENCE TAUTOMERISM OF BENZENE OXIDE/OXEPIN MOLECULAR SYSTEM
Thermodynamic parameters for the benzene oxide <=> oxepin system have been calculated at MP4(SDQ)/6-31+G**//HF/6-31G** level of theory. The calculated enthalpy for this valence tautomeric equilibrium differs from that reported by Vogel et al in 1967, but agree well with the value calculated by...
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| Autores principales: | , |
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| Lenguaje: | English |
| Publicado: |
Sociedad Chilena de Química
2001
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| Acceso en línea: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0366-16442001000400011 |
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