Abstract

Abstract Isolated Molecule, Localization and Delocalization approaches were applied, in the frame of HMO theory, to interpret the kinetics of nucleophilic aromatic substitution of halonitro-benzenes and naphthalenes, and of haloaza compounds. Amines and alkoxide ions in alcohols were considered as nucleophiles. Results were correlated with experimental activation energies and free energies. The best correlations were obtained by the delocalization approach, using Arrhenius activation energies.

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