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Structural aspects and electronic absorption of the hydroxyphenanthroperylene quinones fringelit D, hypericin, and stentorin

Strukturelle Aspekte und elektronische Absorptionseigenschaften der Hydroxyphenanthroperylenchinone Fringelit D, Hypericin und Stentorin

  • Anorganische Und Physikalische Chemie
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Monatshefte für Chemie / Chemical Monthly Aims and scope Submit manuscript

Summary

PPP type semiempirical quantum chemical calculations of absorption spectra were performed for hypericin, fringelit D, stentorin, and their respective conformers, tautomers, and deprotonated species. The results agree with the experimental absorption spectra of hypericin, stentorin, and fringelit D, their deprotonated species, and the polarized absorption spectra of an ω,ω′-long chain appended hypericin derivative embedded in stretched polyethylene.

Zusammenfassung

Semiempirische quantenchemische Rechnungen (PPP-Typ) der Absorptions-spektren von Hypericin, Fringelit D, Stentorin und ihrer Konformeren, Tautomeren und deren Deprotonierungsprodukten wurden durchgeführt. Die Resultate stehen in Einklang mit den experimentellen Absorptionsspektren von Hypericin, Fringelit D, Stentorin, ihrer Deprotonierungsprodukte und dem polarisierten Absorptionsspektrum eines in gestrecktem Polyethylen eingebetteten ω,ω′-substituierten Hypericinderivates.

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Authors and Affiliations

  1. Institut für Chemie, Johannes Kepler Universität Linz, A-4040, Linz, Austria

    C. Etzlstorfer, H. Falk, N. Müller & T. N. H. Tran

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  1. C. Etzlstorfer
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  2. H. Falk
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  3. N. Müller
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  4. T. N. H. Tran
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Etzlstorfer, C., Falk, H., Müller, N. et al. Structural aspects and electronic absorption of the hydroxyphenanthroperylene quinones fringelit D, hypericin, and stentorin. Monatsh Chem 127, 659–668 (1996). https://doi.org/10.1007/BF00817257

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  • DOI: https://doi.org/10.1007/BF00817257

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