Non-superaromatic reference defined by graph theory for a super-ring molecule

Abstract

Aromaticity arising from a super-ring structure in a super-ring molecule may be referred to as superaromaticity. A secular determinant can be defined by graph theory for the non-superaromatic reference of any super-ring molecule. Superaromatic stabilization energy can now be evaluated exactly. It was confirmed that kekulene and cyclic polyacenes are essentially non-superaromatic with negligibly small percentage superaromatic stabilization energies.