Affordable Access

deepdyve-link deepdyve-link
Publisher Website

Aromaticity and magnetotropicity of dicyclopenta-fused polyacenes.

Authors
  • Makino, Masakazu
  • Aihara, Jun-ichi
Type
Published Article
Journal
Physical chemistry chemical physics : PCCP
Publication Date
Jan 28, 2008
Volume
10
Issue
4
Pages
591–599
Identifiers
DOI: 10.1039/b714906a
PMID: 18183320
Source
Medline
License
Unknown

Abstract

Most dicyclopenta-fused polyacenes are predicted to be moderately aromatic and diatropic, although they have no (4n + 2)-site conjugated circuits. We applied our graph theory of aromaticity and magnetotropicity to these molecules and found that these anomalous properties arise from a set of non-conjugated circuits, which contribute collectively to aromaticity and diatropicity. This result indicates that the conjugated circuit model is not always applicable to such non-alternant hydrocarbons. Dianions of dicyclopenta-fused polyacenes are more aromatic than their respective neutral species, because they are iso-pi-electronic with aromatic polyacenes.

Report this publication

Statistics

Seen <100 times