Collect. Czech. Chem. Commun.
1992, 57, 1-6
https://doi.org/10.1135/cccc19920001
Study of the Interconversion of Isomers of [16]annulene by the AM1 Method
José María Hernandoa, José Joaquín Quiranteb and Fernando Enríquezb
a Departamento de Química Física, Faculdad de Ciencias, Universidad de Valladolid, 47005 Valladolid, Spain
b Departamento de Química Física, Faculdad de Ciencias, Universidad de Malaga, 29071 Malaga, Spain
Abstract
The AM1 method was used to carry out a theoretical study of different isomers of [16]annulene and of the reversible transformation between them preserving the molecular periphery. Transition states were located on the corresponding potential energy hypersurface.
