Study of intersystem crossing mechanism in organic materials

David Ompong, Jai Singh

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    Abstract

    Intersystem crossing rate from singlet excited state to triplet excited state of an organic molecule has been derived using exciton-spin-orbit-molecular vibration interaction as a perturbation operator. Incorporation of heavy metal atom enhances the spin-orbit interaction and hence the intersystem crossing rate because it depends on the square of the heaviest atomic number. We found that in the presence of heavy atom the singlet-triplet energy difference still plays an influential role in the intersystem crossing process. The derived exciton-spin-orbit-molecular vibration interaction operator flips the spin of the singlet exciton to triplet exciton after photoexcitaion from the singlet ground state with the assistance of molecular vibrational energy. From this operator an expression for the intersystem crossing rate is derived and calculated in some organic solids. 
    Original languageEnglish
    Pages (from-to)89-92
    Number of pages4
    JournalPhysica Status Solidi (C) Current Topics in Solid State Physics
    Volume13
    Issue number2-3
    DOIs
    Publication statusPublished - 2016

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    organic materials
    excitons
    operators
    orbits
    organic solids
    vibration
    heavy metals
    spin-orbit interactions
    excitation
    atoms
    interactions
    perturbation
    ground state
    energy
    molecules

    Cite this

    @article{364d977266554661ac57f0c6ccc306aa,
    title = "Study of intersystem crossing mechanism in organic materials",
    abstract = "Intersystem crossing rate from singlet excited state to triplet excited state of an organic molecule has been derived using exciton-spin-orbit-molecular vibration interaction as a perturbation operator. Incorporation of heavy metal atom enhances the spin-orbit interaction and hence the intersystem crossing rate because it depends on the square of the heaviest atomic number. We found that in the presence of heavy atom the singlet-triplet energy difference still plays an influential role in the intersystem crossing process. The derived exciton-spin-orbit-molecular vibration interaction operator flips the spin of the singlet exciton to triplet exciton after photoexcitaion from the singlet ground state with the assistance of molecular vibrational energy. From this operator an expression for the intersystem crossing rate is derived and calculated in some organic solids. ",
    keywords = "Atoms, Excitons, Ground state, Heavy metals, Molecular vibrations, Inter-system crossings, Intersystem crossing rates, Organic materials, Organic molecules, Singlet excited state, Singlet ground state, Spin orbit interactions, Vibrational energies, Excited states",
    author = "David Ompong and Jai Singh",
    year = "2016",
    doi = "10.1002/pssc.201510128",
    language = "English",
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    pages = "89--92",
    journal = "Physica Status Solidi (C) Current Topics in Solid State Physics",
    issn = "1610-1642",
    publisher = "Wiley-Blackwell",
    number = "2-3",

    }

    Study of intersystem crossing mechanism in organic materials. / Ompong, David; Singh, Jai.

    In: Physica Status Solidi (C) Current Topics in Solid State Physics, Vol. 13, No. 2-3, 2016, p. 89-92.

    Research output: Contribution to journalArticleResearchpeer-review

    TY - JOUR

    T1 - Study of intersystem crossing mechanism in organic materials

    AU - Ompong, David

    AU - Singh, Jai

    PY - 2016

    Y1 - 2016

    N2 - Intersystem crossing rate from singlet excited state to triplet excited state of an organic molecule has been derived using exciton-spin-orbit-molecular vibration interaction as a perturbation operator. Incorporation of heavy metal atom enhances the spin-orbit interaction and hence the intersystem crossing rate because it depends on the square of the heaviest atomic number. We found that in the presence of heavy atom the singlet-triplet energy difference still plays an influential role in the intersystem crossing process. The derived exciton-spin-orbit-molecular vibration interaction operator flips the spin of the singlet exciton to triplet exciton after photoexcitaion from the singlet ground state with the assistance of molecular vibrational energy. From this operator an expression for the intersystem crossing rate is derived and calculated in some organic solids. 

    AB - Intersystem crossing rate from singlet excited state to triplet excited state of an organic molecule has been derived using exciton-spin-orbit-molecular vibration interaction as a perturbation operator. Incorporation of heavy metal atom enhances the spin-orbit interaction and hence the intersystem crossing rate because it depends on the square of the heaviest atomic number. We found that in the presence of heavy atom the singlet-triplet energy difference still plays an influential role in the intersystem crossing process. The derived exciton-spin-orbit-molecular vibration interaction operator flips the spin of the singlet exciton to triplet exciton after photoexcitaion from the singlet ground state with the assistance of molecular vibrational energy. From this operator an expression for the intersystem crossing rate is derived and calculated in some organic solids. 

    KW - Atoms

    KW - Excitons

    KW - Ground state

    KW - Heavy metals

    KW - Molecular vibrations

    KW - Inter-system crossings

    KW - Intersystem crossing rates

    KW - Organic materials

    KW - Organic molecules

    KW - Singlet excited state

    KW - Singlet ground state

    KW - Spin orbit interactions

    KW - Vibrational energies

    KW - Excited states

    UR - http://www.scopus.com/inward/record.url?scp=84960807941&partnerID=8YFLogxK

    U2 - 10.1002/pssc.201510128

    DO - 10.1002/pssc.201510128

    M3 - Article

    VL - 13

    SP - 89

    EP - 92

    JO - Physica Status Solidi (C) Current Topics in Solid State Physics

    JF - Physica Status Solidi (C) Current Topics in Solid State Physics

    SN - 1610-1642

    IS - 2-3

    ER -