Theoretical analysis of substituted diels - Alder reagents to determine

Resultado de la investigación: Contribución a una revistaArtículo

5 Citas (Scopus)

Resumen

The non-polar character of Diels-Alder (DA) reactions using 1- and 2-substituted butadienes and ethylene is discussed. Linear correlations between variations in the energy barrier and the electrophilicity index have been obtained. The charge transfer (CT) process in the cycloaddition reactions depends on the substitution pattern on almost all ethylene reagents. The current work stresses that a polar DA reaction will occur when only the ethylene is substituted by electronwithdrawing (EW) groups increasing its electrophilicity or when both DA reagents are being activated by EW and electron-releasing (ER) groups, enhancing their electrophilic and nucleophilic nature.

Idioma originalInglés
Páginas (desde-hasta)88-94
Número de páginas7
PublicaciónLetters in Organic Chemistry
Volumen8
N.º2
DOI
EstadoPublicada - feb 2011

Áreas temáticas de ASJC Scopus

  • Química orgánica
  • Bioquímica

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