PM3 treatment of certain catenanes having cyclacenes and cyclotriacontene units

Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.574, pp.177-183, 2001 (SCI-Expanded) identifier identifier


The results of PM3 (RHF) type semiempirical quantum chemical treatment of certain catenanes which consisted of all-trans cyclotriacontene shaft and the cyclacene shuttle, having R benzenoid rings (R = 6-9) were reported. The results have indicated that the cryptoannulenic effect which is the characteristic property of cyclacenes is almost lost when they are incorporated into the structures of catenanes considered. (C) 2001 Elsevier Science BN. All rights reserved.