AM1 treatment of cyclophanes with vinylic bridges

Authors
Turker, L
Citation
L. Turker, AM1 treatment of cyclophanes with vinylic bridges, POLYCYCL AR, 13(1), 1999, pp. 25-31
Citations number
14
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
POLYCYCLIC AROMATIC COMPOUNDS
ISSN journal
10406638 → ACNP
Volume
13
Issue
1
Year of publication
1999
Pages
25 - 31
Database
ISI
SICI code
1040-6638(1999)13:1<25:ATOCWV>2.0.ZU;2-D
Abstract
Semi-empirical molecular orbital treatment at the level of AM1 type has bee n performed on the cyclophanes having vinylic bridges. The Hamiltonicity of the cyclophanes is introduced. It has been found that within the isomeric set of these endothermic compounds, the least and the most endothermic ones are Hamiltonian and nonHamiltonian, respectively.