MNDO TREATMENT OF THE HUCKEL AND MOBIUS TYPES OF CYCLACENES

The Mobius-type cyclacenes with benzenoid rings of 8-14 are compared w ith the corresponding Huckel types in terms of various properties whic h are estimated within the framework of MNDO calculations. It has been found that, although in the homologous series of the Huckel types cer tain properties are dictated by the cryptoannulenic effect, they are o nly partly dependent on this effect in the case of Mobius cyclacenes. (C) 1998 Elsevier Science B.V. All rights reserved.