Collect. Czech. Chem. Commun.
1983, 48, 2469-2472
https://doi.org/10.1135/cccc19832469
PMO treatment of structure-reactivity relationships. Polar effects in the free radical addition reactions
Robert Ponec, Milan Hájek and Jaroslav Málek
Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol
Abstract
The electronic nature of free radicals in the addition to substituted styrenes was studied by a simple perturbation approach utilizing delocalisability Dr as a static index of reactivity. In agreement with experimental results, the calculations reproduce correctly the change in the sign of the Hammett ρ constants in going from electronegative to electropositive radicals.
