The one-photon and two-photon absorption properties for porphyrin-derived monomers and dimers

Abstract

Theoretically brilliant. Monomers and dimers of porphyrin polymers (see, for example, the graphic) as novel two-photon absorption materials have been theoretically investigated by means of density functional theory B3 LYP/6-31G level and the semiempirical ZINDO-SOS method. It is found that the conjugation length plays a most crucial role for large two-photon absorption response, which results in the increase of the two-photon cross-section by two orders of magnitude. The largest two-photon absorption cross-section calculated is 7.6 × 10-46 cm4s photon-1, which is in agreement with experimental observations.