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Monatshefte für Chemie / Chemical Monthly

, Volume 126, Issue 11, pp 1179–1185 | Cite as

Theoretical study of cyclic conjugation in phenes: Some hitherto unnoticed features

  • I. Gutman
  • V. Petrović
Anorganische Und Physikalische Chemie

Summary

Cyclic conjugation in phenes is examined by means of theBosanac-Gutman-Aihara method. In contrast to the predictions based on the analysis ofKekulé orClar structures, we find that when going along the hexagons of a phene molecule, cyclic conjugation varies in a rather non-uniform manner. In contrast to a number of other homologous series of benzenoid hydrocarbons, the intensity of cyclic conjugation in phenes increases when going towards the center of the molecule.

Keywords

Cyclic conjugation Phenes Benzenoid hydrocarbons 

Theoretische Untersuchung der cyclischen Konjugation in Phenen: Einige bisher unbekannte Eigenschaften

Zusammenfassung

Die cyclische Konjugation in Phenen wird mittels derBosanac-Gutman-Aihara-Methode untersucht. Im Gegensatz zu auf der Analyse vonKekulé- oderClar-Strukturen beruhenden Voraussagen variiert die cyclische Konjugation entlang der Sechsecke eines Phenmoleküls ziemlich unregelmäßig. Anders als bei anderen homologen benzenoiden Kohlenwasserstoffen nimmt bei Phenen die Intensität der cyclischen Konjugation zum Zentrum des Moleküls hin zu.

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Copyright information

© Springer-Verlag 1995

Authors and Affiliations

  • I. Gutman
    • 1
    • 2
  • V. Petrović
    • 2
  1. 1.Institute of Physical ChemistryAttila Jozsef UniversitySzegedHungary
  2. 2.Faculty of ScienceUniversity of KragujevacKragujevacYugoslavia

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