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Theoretische Untersuchungen zur Molekülstruktur und Spektroskopie von Benzopyrylium-Verbindungen: Vollständig-optimierte S0- und S1-Molekülgeometrien des 5,6-Dihydrobenzo[c]xanthylium-Ions und Einfluß der Strukturfixierung sowie Substitution auf sein elektronisches Spektralverhalten in Absorption und Fluoreszenz

Theoretical investigations on molecular structure and spectroscopy of benzopyrylium compounds: Completely-optimized S0 and S1 molecular geometries of the 5,6-dihydrobenzo[c]xanthylium ion and influence of structural fixation and of substitution on its electronic spectral behaviour in absorption and fluorescence (Short commun.)

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  • Anorganische Und Physikalische Chemie
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Summary

Completely-optimized S0 and S1 molecular geometries of 5,6-dihydrobenzo[c]xanthylium ion are presented. Using these structural results the influence of structural fixation and of substitution on its spectral behaviour in absorption and fluorescence is studied theoretically and compared with experimental data.

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Literatur

  1. Gustav K., Colditz R., Steen D. (1989) Monatsh. Chem.120: 715

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Authors and Affiliations

  1. Sektion Chemie, Friedrich-Schiller-Universität Jena, DDR-6900, Jena, Deutsche Demokratische Republik

    Klaus Gustav, Roland Colditz & Dorika Steen

Authors
  1. Klaus Gustav
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  2. Roland Colditz
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  3. Dorika Steen
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Gustav, K., Colditz, R. & Steen, D. Theoretische Untersuchungen zur Molekülstruktur und Spektroskopie von Benzopyrylium-Verbindungen: Vollständig-optimierte S0- und S1-Molekülgeometrien des 5,6-Dihydrobenzo[c]xanthylium-Ions und Einfluß der Strukturfixierung sowie Substitution auf sein elektronisches Spektralverhalten in Absorption und Fluoreszenz. Monatsh Chem 120, 721–724 (1989). https://doi.org/10.1007/BF00809964

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  • DOI: https://doi.org/10.1007/BF00809964

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