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Topological effect on MO energies, IV. The total π-electron energy ofS- andT-isomers

Topologischer Effekt bei MO-Energien, 4. Mitt.: Die π-Elektronen-Gesamtenergie vonS- undT-Isomeren

  • Anorganische Und Physikalische Chemie
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Abstract

A novel general property of theS- andT-isomers (a concept which has been introduced and elaborated elsewhere1, 2) of alternant hydrocarbons is demonstrated, namely that due to the HMO total π-electron energy theS-isomer should always be more stable than theT-isomer. Some other classes of conjugated isomers are also constructed, for which similar inequalities are derived.

Zusammenfassung

Es wird allgemein gezeigt, daß bei einemS-T-Isomerenpaar (beschrieben in1, 2) eines alternierenden Kohlenwasserstoffes infolge der HMO π-Elektronen-Gesamtenergie dasS-Isomere stets stabiler sein sollte als dasT-Isomere. Weitere Klassen konjugierter Isomere werden konstruiert und ähnliche Ungleichungen angegeben.

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References

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Authors and Affiliations

  1. Max-Planck-Institut für Strahlenchemie, D-4330, Mülheim/Ruhr, Federal Republic of Germany

    Ante Graovac & Oskar E. Polansky

  2. Institute “Ruđer Bošković”, YU-41001, Zagreb, Croatia, Yugoslavia

    Ante Graovac

  3. Faculty of Science, University of Kragujevac, YU-34000, Kragujevac, Yugoslavia

    Ivan Gutman

Authors
  1. Ante Graovac
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  2. Ivan Gutman
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  3. Oskar E. Polansky
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Graovac, A., Gutman, I. & Polansky, O.E. Topological effect on MO energies, IV. The total π-electron energy ofS- andT-isomers. Monatsh Chem 115, 1–13 (1984). https://doi.org/10.1007/BF00798416

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  • DOI: https://doi.org/10.1007/BF00798416

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