Understanding local electrophilicity/nucleophilicity activation through a single reactivity difference index

Abstract

A local reactivity difference index R_k is shown to be able to predict the local electrophilic and/or nucleophilic activation within an organic molecule. Together with the electrophilic and/or nucleophilic behavior of the center k given by the sign, the magnitude of the R_k index accounts for the extent of the electronic activation, a behavior that allows for the use of the R_k index as a measure of the molecular reactivity especially in polar processes.