Mechanism of amination of aziridines and oxiranes. 3. Quantum-chemical investigation of the effects of specific solvation
The characteristics of the associates formed by the aziridine and ethylene oxide molecules in protic solvents were studied by the nonempirical SCF MO-LCAO quantum-chemical method in the STO-3G basis set. It was shown that the main reacting particles in the acid-catalyzed ammonolysis reactions are ethylene oxide-ammonium cation and protonated aziridine-solvent complexes.