Intrinsic Relative Scales of Electrophilicity and
Nucleophilicity
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Abstract
The
formulation of the second-order perturbation approach to the
stabilization energy of the A–B interacting species due to
charge transfer is revisited. Intrinsic (i.e., electronic) theoretical
indices for both relative electrophilicity and nucleophilicity are
proposed for any electrophile (A)–nucleophile (B) pairs of
combining species. By using the new descriptors, an electronic analogue
to the Mayr–Patz linear free relationship has been successfully
tested in the context of available experimental evidence reported
for reactions of primary and secondary amines with benzhydrylium ions