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    Three-photon absorption in anthracene-porphyrin-anthracene triads: A quantum-chemical study

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    COPE_82.pdf (516.7Kb)
    Date
    2004-12
    Author
    Zhu, Lingyun
    Yang, Xia
    Yi, Yuanping
    Xuan, Pengfei
    Shuai, Zhigang
    Chen, Dezhan
    Zojer, Egbert
    Brédas, Jean-Luc
    Beljonne, David
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    Abstract
    We have applied correlated quantum-chemical methods to investigate the three-photon absorption (3PA) response of a porphyrin triad derivative, where the central macrocycle is linked in mesopositions to two anthracene units via acetylenic bridges. The 3PA frequency-dependent spectrum of this derivative is dominated by a single resonance feature in the transparent region, associated with charge-transfer states between porphyrin and anthracene. The calculations indicate a two order of magnitude enhancement in the 3PA cross section in the triad molecule with respect to the individual entities, which is attributed to close one-, two-, and three-photon resonances together with strong electronic couplings among the units.
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    http://hdl.handle.net/1853/46823
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