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

Lingyun Zhu, Xia Yang, Yuanping Yi, Pengfei Xuan, Zhigang Shuai*, Dezhan Chen, Egbert Zojer, Jean Luc Brédas, David Beljonne

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

18 Scopus citations


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.

Original languageEnglish (US)
Article number8
Pages (from-to)11060-11067
Number of pages8
Issue number22
StatePublished - Dec 8 2004
Externally publishedYes

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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