Excited state Intramolecular Proton Transfer in Anthralin: Quantum Chemical Calculations and Fluorescence Spectra

Søren Møller, Kristine B. Andersen, Jens Spanget-Larsen, Jacek Waluk

    Research output: Contribution to journalJournal articlepeer-review

    Abstract

    Quantum chemical calculations performed on anthralin (1,8-dihydroxy-9(10H)-anthracenone) predict the possibility of an excited-state intramolecular proton transfer process. Fluorescence excitation and emission spectra of the compound dissolved in n-hexane at ambient temperature results in an unusually large fluorescence Stokes shift of 10500 cm−1. The emission appears as a broad band with a maximum at 17500 cm−1 and is characterized by a low and nearly temperature-independent quantum yield. The results are interpreted as an indication of a large equilibrium geometry change upon excitation, associated with an excited-state intramolecular proton transfer process.
    Original languageEnglish
    JournalChemical Physics Letters
    Volume291
    Issue number1-2
    Pages (from-to)51-56
    Number of pages6
    ISSN0009-2614
    DOIs
    Publication statusPublished - 1998

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