Three-photon absorption in anthracene-porphyrin-anthracene triads: a quantum-chemical study |
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| Authors: | Zhu Lingyun Yang Xia Yi Yuanping Xuan Pengfei Shuai Zhigang Chen Dezhan Zojer Egbert Brédas Jean-Luc Beljonne David |
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| Institution: | Laboratory of Organic Solids, Center for Molecular Sciences, Institute of Chemistry, The Chinese Academy of Sciences, 100080 Beijing, People's Republic of China. |
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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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