The Effect of Peripheral Circuits on the Total p-Electron Energies of Cyclacenes

Within the framework of the Hückel molecular orbital theory, certain linear models are developed to express the contribution of peripheral circuits of cyclacenes into their total p-electron energies, which explain why cyclacenes exhibit the cryptoannulenic behavior as their peripheral circuits which are annulenic in character.

The Effect of Peripheral Circuits on the Total p-Electron Energies of Cyclacenes

Within the framework of the Hückel molecular orbital theory, certain linear models are developed to express the contribution of peripheral circuits of cyclacenes into their total p-electron energies, which explain why cyclacenes exhibit the cryptoannulenic behavior as their peripheral circuits which are annulenic in character.