QUANTUM-CHEMICAL CALCULATION AND SPECTROSCOPIC STUDY OF π-CONJUGATION PATHWAY IN NH-TAUTOMERS OF THE FREE BASE CORROLES

The π-conjugation pathway was identified and the degree of aromaticity for NH-tautomers free base corroles determined by quantum chemistry methods absorption spectroscopy. Different participation macrocycle skeletal atoms in formation established, it supposed that conjugation consisting 18 π-electrons were dominating. At same
 time, each two possesses its own distinct pathway, which provides differences degree. It shown architecture peripheral substitution a influences aromaticity. Method control over equilibrium between proposed experimentally proved. consists design electronic density distribution is characteristic one tautomers.