Theoretical interpretation of the reactivity of the imidazole ring in transformations at the meso carbon atom

Quantum-mechanical calculations by the Pariser-Parr-Pople (PPP) SCF MO and Hückel MO methods explain the previously observed dependence of the reactivities of imidazole derivatives in reactions at the meso carbon atom on the nature of the aromatic nuclei and substituents bonded to the imidazole ring in the 4 and 5 positions.Translated from Khimiya Geterotsiklicheskikh Soedinenii, No. 1, pp. 99–106, January, 1973.