A quantum chemical study of the dimerization of indanedionyl radicals by the indo and molecular electrostatic potential methods

Abstract

1. Analysis of the molecular electrostatic potential plots for chloro-substituted indanedionyl radicals showed that the introduction of chlorine atoms hinders the dimerization of these radicals. 2. The stability of the dimers of these radicals also decreases with the accumulation of chlorine atoms: (IIa) > (IIb,c) > (IId,e). This effect is related to destabilizing coulombic interactions. 3. The introduction of chlorine atoms into the phthaloyl fragment progressively leads to a shift in the equilibrium of the dimerization reaction toward radical formation.