PM3 treatment of certain catenanes having cyclacenes and cyclotriacontene units

Authors
Turker, L
Citation
L. Turker, PM3 treatment of certain catenanes having cyclacenes and cyclotriacontene units, J MOL ST-TH, 574, 2001, pp. 177-183
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
574
Year of publication
2001
Pages
177 - 183
Database
ISI
SICI code
0166-1280(20011116)574:<177:PTOCCH>2.0.ZU;2-E
Abstract
The results of PM3 (RHF) type semiempirical quantum chemical treatment of c ertain catenanes which consisted of all-trans cyclotriacontene shaft and th e cyclacene shuttle, having R benzenoid rings (R = 6-9) were reported. The results have indicated that the cryptoannulenic effect which is the charact eristic property of cyclacenes is almost lost when they are incorporated in to the structures of catenanes considered. (C) 2001 Elsevier Science BN. Al l rights reserved.