Acta Phys. -Chim. Sin. ›› 2007, Vol. 23 ›› Issue (02): 228-231.doi: 10.3866/PKU.WHXB20070217

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Two-photon Absorption Properties of Heteroatomic Ring Molecules

MENG Xian-Mei;HUANG Xiao-Ming;WANG Chuan-Kui   

  1. College of Physics and Electronics, Shandong Normal University, Jinan 250014, P. R. China
  • Received:2006-07-31 Revised:2006-10-15 Published:2007-02-01
  • Contact: WANG Chuan-Kui E-mail:ckwang@sdnu.edu.cn

Abstract: Using few-state model and DFT method, we calculate the nonlinear optical properties of three Benzothiazolyl-derivatives newly synthesized. The calculation results show that when the delocalization of the p electrons in the organic molecules increases the maximum absorption take place red-shift. When the conjugate chain has a longer size, the distribution of the increasing size of the conjugate chain on the increasing cross section is more important than the changing of pull-electron base. This kind of molecule has a better TPA characteristic.

Key words: molecule photonics, two-photon absorption, density function theory, few-state model, hetero atomic ring molecules