Trimeric Mechanism of Proton Transfer in Imidazole

The energy, electronic, and structural characteristics of the tautomeric transformation of imidazole were calculated by the quantum-chemical semiempirical AM1 method. It was concluded on the basis of the calculated data that proton transfer in the tautomeric transformation 1H-imidazole3H-imidazole can take place by a trimeric mechanism.