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Untersuchungen zum Energiespektrum vonα,ω-substituierten Polymethinketten

I.α,ω-substituierte polyene mit gerader zahl von methingruppen

Studies on the energy spectrum ofα,ω-substituted polymethine chains

I.α,ω-substituted polyenes containing an even number of methine groups

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Abstract

Taking into account the electron correlation by the method of alternant molecular Orbitals the energy spectrum ofα,ω-substituted polyenes X-(CH)2n -X with (2n+2)π-electrons has been studied.

In reasonable agreement with values estimated from available experimental spectral data of homologous polyendiones the energy gap forn→ ∞ was found to be in the same order of magnitude as for unsubstituted polyenes. The effect of the bond alternation should be small.

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Authors and Affiliations

  1. Institut für Organische Chemie der Bulgarischen Akademie der Wissenschaften, Sofia

    N. Tyutyulkov & J. Petkov

  2. Institut für Theoretische Chemie der Universität Wien, Österreich

    O. E. Polansky

  3. Institut für Strahlenchemie, Max-Planck-Institut für Kohlenforschung, Stiftsstraße 34-36, D-433, Mülheim (Ruhr), Bundesrepublik Deutschland

    O. E. Polansky

  4. Sektion Chemie der Technischen Universität Dresden, Bundesrepublik Deutschland

    J. Fabian

Authors
  1. N. Tyutyulkov
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  2. J. Petkov
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  3. O. E. Polansky
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  4. J. Fabian
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Tyutyulkov, N., Petkov, J., Polansky, O.E. et al. Untersuchungen zum Energiespektrum vonα,ω-substituierten Polymethinketten. Theoret. Chim. Acta 38, 1–8 (1975). https://doi.org/10.1007/BF01046552

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  • DOI: https://doi.org/10.1007/BF01046552

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