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

Organic & Biomolecular Chemistry Pub Date: 2012-02-07 DOI: 10.1039/C2OB06943A

Abstract

A local reactivity difference index Rk 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 Rk index accounts for the extent of the electronic activation, a behavior that allows for the use of the Rk index as a measure of the molecular reactivity especially in polar processes.

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