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The One‐Photon and Two‐Photon Absorption Properties for Porphyrin‐Derived Monomers and Dimers
Author(s) -
Zhou Xin,
Ren AiMin,
Feng JiKang,
Liu XiaoJuan,
Zhang YunDong
Publication year - 2003
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200300767
Subject(s) - two photon absorption , porphyrin , absorption (acoustics) , absorption cross section , zindo , chemistry , monomer , photon , density functional theory , photochemistry , molecular physics , cross section (physics) , computational chemistry , polymer , optics , physics , molecule , quantum mechanics , organic chemistry , laser
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 cm 4 s photon −1 , which is in agreement with experimental observations.