Abstract

RAMIREZ-GALICIA, Guillermo; RUBIO, Manuel F.  and  MARTINEZ, Roberto. Estudio teórico de la reactividad química de 1,2,7-trimetil-6-(4- R-fenil)-1,6-dihidropirrolo[2,3-e]indoles frente a electrófilos. Rev. Soc. Quím. Méx [online]. 2000, vol.44, n.1, pp.37-41. ISSN 0583-7693.

Studies of AM1 calculations of a complete series of dihy dropyrroloindols under electrophilic aromatic substitution conditions were determined to clarify their reactivity. Also in order to determine their nulcleophilical reactivity two mathematical models, which involve the calculated occupied molecular orbitals (HOMO and HOMO-1) were proposed. The probability of electrophilic aromatic substitution under acid and neutral mediums the electrophilic aromatic substitution of these molecules will be the position number 8.

Keywords : AM1 semiempirical method; occupied molecular orbitals; electrophilic aromatic substitution; nucleophilic reactivity; nitration.

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