Estimation of steric hindrances at the dimerization of free organic radicals

Abstract

Model has been suggested of quantitative estimation of steric hindrances value in the reaction of free organic radicals based on building sterical spheres with the radii equal the distances from the reaction sites to the valence-unsaturated atoms of the molecule with accounting for their population with the atoms of the molecular system. Simultaneous consideration of the introduced steric hindrances factor and the values of the effective charges on atoms permits prediction of structures of the symmetric and unsymmetrical dimers.