Acta Phys. -Chim. Sin. ›› 2009, Vol. 25 ›› Issue (11): 2319-2324.doi: 10.3866/PKU.WHXB20091033

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Two-Photon Absorption Properties of Two Kinds of Compounds with Fluorene as Centre

LI Xiao-Jing, LI Jing, WANG Chuan-Kui   

  1. College of Physics and Electronics, Shandong Normal University, Jinan 250014, P. R. China
  • Received:2009-04-28 Revised:2009-07-20 Published:2009-10-28
  • Contact: WANG Chuan-Kui


The two-photon absorption properties of two newly synthesized compounds containing fluorene as a π centre (denoted SK-G1 and NT-G1) were calculated using a response function method with density functional theory. Results show that both compounds have large one-photon and two-photon absorption abilities. In the low energy region, the maximum one-photon absorption strength of NT-G1 is twice as much as that of SK-G1 and its maximum absorption is red shifted compared to that for SK-G1. The maximum two-photon absorption cross section of NT-G1 is about five times as large as that of SK-G1 and those are found for the second excited states. Furthermore, NT-G1 has a wider two-photon absorption energy band. The optical properties of the molecules are closely related to their charge transfer processes when they are excited. The solvent effect on their one-photon absorption properties was calculated using the Onsager model. The numerical calculation is found to be in good agreement with experimental measurements.

Key words: One-photon absorption, Two-photon absorption, Response function method, Molecule photonics


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