Electrostatic molecular potential as a static index in the study of aromatic substitutions

Abstract:

Electrostatic potential maps of azulene, indole and benzofuran are discussed. Theoretical results on azulene and indole fit well with the experience, while benzofuran electrostatic reactivity fails to explain the experimental facts. This anomalous behaviour may be explaned through the necessary presence of higher order terms in the activated complex's energy, which cannot be taken into account by the electrostatic potential, a first order approach, alone. © 1975.

Año de publicación:

1975

Keywords:

Fuente:

scopus