Cyclacenes having dislocated rings

Authors
Citation
L. Turker, Cyclacenes having dislocated rings, J MOL ST-TH, 536(2-3), 2001, pp. 235-241
Citations number
29
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
536
Issue
2-3
Year of publication
2001
Pages
235 - 241
Database
ISI
SICI code
0166-1280(20010223)536:2-3<235:CHDR>2.0.ZU;2-#
Abstract
Clockwise and anticlockwise dislocation operation on cyclacenes were define d. Certain types of dislocated cyclacenes were subjected to AMI type semiem pirical molecular orbital calculations in order to get some idea about thes e nonexistent structures. They were predicted to be more stable than the is omeric cyclacenes. The cryptoannulenic effect, which is the characteristic feature of the cyclacenes. subsides or disappears depending on the type of the dislocated system. (C) 2001 Elsevier Science B.V. All rights reserved.