%A MENG Xian-Mei;HUANG Xiao-Ming;WANG Chuan-Kui
%T Two-photon Absorption Properties of Heteroatomic Ring Molecules
%0 Journal Article
%D 2007
%J Acta Phys. -Chim. Sin.
%R 10.3866/PKU.WHXB20070217
%P 228-231
%V 23
%N 02
%U {http://www.whxb.pku.edu.cn/CN/abstract/article_23953.shtml}
%8 2007-02-01
%X 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.