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.
| Original language | English (US) |
|---|---|
| Article number | 8 |
| Pages (from-to) | 11060-11067 |
| Number of pages | 8 |
| Journal | Journal of Chemical Physics |
| Volume | 121 |
| Issue number | 22 |
| DOIs | |
| State | Published - Dec 8 2004 |
| Externally published | Yes |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry