Original scientific paper

Theoretical Study of the Effect Exerted on the Periphery of 10-Annulene by Two Benzenoid Rings

Maria J. Rioseras-Garcia ; Departamento de Química Física, Universidad de Valladolid, Valladolid, Spain
Jose M. Hernando-Huelmo ; Departamento de Química Física, Universidad de Valladolid, Valladolid, Spain

Abstract

A conformational Study of the energies and geometries of two di-benzo [10]-annulenes, their methylated derivatives and their corresponding bridged valence isomers has been carried out by the semiempirical molecular orbital method AM1. The relative energies of these compounds are strongly dependent on the relative positions of the two benzenoid rings. Interconversions into the corresponding dehydroannulenes were studied. The respective transformations into the corresponding polycyclic benzenoid hydrocarbons were also analyzed.

Keywords

Hrčak ID:

132129

URI

https://hrcak.srce.hr/132129

Publication date:

1.3.1999.

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