Cryptoannulenic Behavior of Cyclacenes

Abstract

Abstract Cryptoannulenic behavior of cyclacenes has been investigated within the framework of Hückel molecular orbital theory. It has been found that the angle of total π-electron energy for cyclacenes, as it is the case for annulenes, alternatingly fluctuates within the series depending on the size and type of the peripheral circuits (4m or 4m + 2 type) of the cyclacene considered.