Excited state Intramolecular Proton Transfer in Anthralin

Quantum Chemical Calculations and Fluorescence Spectra

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

    Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

    Resumé

    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.
    OriginalsprogEngelsk
    TidsskriftChemical Physics Letters
    Vol/bind291
    Udgave nummer1-2
    Sider (fra-til)51-56
    Antal sider6
    ISSN0009-2614
    DOI
    StatusUdgivet - 1998

    Citer dette

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    title = "Excited state Intramolecular Proton Transfer in Anthralin: Quantum Chemical Calculations and Fluorescence Spectra",
    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.",
    author = "S{\o}ren M{\o}ller and Andersen, {Kristine B.} and Jens Spanget-Larsen and Jacek Waluk",
    year = "1998",
    doi = "10.1016/S0009-2614(98)00546-6",
    language = "English",
    volume = "291",
    pages = "51--56",
    journal = "Chemical Physics Letters",
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    }

    Excited state Intramolecular Proton Transfer in Anthralin : Quantum Chemical Calculations and Fluorescence Spectra. / Møller, Søren; Andersen, Kristine B.; Spanget-Larsen, Jens; Waluk, Jacek.

    I: Chemical Physics Letters, Bind 291, Nr. 1-2, 1998, s. 51-56.

    Publikation: Bidrag til tidsskriftTidsskriftartikelForskningpeer review

    TY - JOUR

    T1 - Excited state Intramolecular Proton Transfer in Anthralin

    T2 - Quantum Chemical Calculations and Fluorescence Spectra

    AU - Møller, Søren

    AU - Andersen, Kristine B.

    AU - Spanget-Larsen, Jens

    AU - Waluk, Jacek

    PY - 1998

    Y1 - 1998

    N2 - 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.

    AB - 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.

    U2 - 10.1016/S0009-2614(98)00546-6

    DO - 10.1016/S0009-2614(98)00546-6

    M3 - Journal article

    VL - 291

    SP - 51

    EP - 56

    JO - Chemical Physics Letters

    JF - Chemical Physics Letters

    SN - 0009-2614

    IS - 1-2

    ER -