Open AccessThree-photon absorption in anthracene-porphyrin-anthracene triads: A quantum-chemical study
Author(s) -
Lingyun Zhu,
Yang Xia,
Yuanping Yi,
Pengfei Xuan,
Zhigang Shuai,
Dezhan Chen,
Egbert Zojer,
JeanLuc Brédas,
David Beljonne
Publication year - 2004
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/1.1813437
Subject(s) - anthracene , triad (sociology) , porphyrin , photochemistry , absorption (acoustics) , chemistry , two photon absorption , derivative (finance) , resonance (particle physics) , absorption spectroscopy , photon , quantum chemical , molecule , materials science , atomic physics , physics , organic chemistry , optics , psychology , laser , psychoanalysis , financial economics , economics , composite material
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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