ab initio MO-SCF study of prototropic transformations of non-substituted dihydropyridines

Abstract

The equilibrium systems formed by ionization of all the isomeric dihydropyridines I, II, III, IV and V with the particles H3O+, H2O and OH- have been characterized on the basis of the total energy changes calculated with the use of the STO-3G and 4-31G basis sets. Relative thermodynamic stabilities of the corresponding dihydropyridine forms are discussed.