枝间的耦合效应对三苯胺衍生分子双光子吸收性质的影响  

THE COOPERATIVE BRANCH EFFECT ON TWO- PHOTON ABSORPTION PROPERTIES OF TRIPHENYLAMINE DERIVATIVES

作　　者：孙杰[1] 丁红娟[1] 

机构地区：[1]山东师范大学物理与电子科学学院,济南250014

出　　处：《山东师范大学学报（自然科学版）》2013年第1期64-66,共3页Journal of Shandong Normal University(Natural Science)

基　　金：山东省自然科学基金资助项目（ZR2010AZ002）.

摘　　要：在密度泛函理论水平上计算了一系列以三苯胺为中心的衍生分子的单光子和双光子吸收性质．理论计算结果表明，随着分子枝链数目的增加，分子的最大单光子吸收强度增强，相对应的吸收波长发生了红移，分子的双光子吸收截面增加．分f枝间的耦合效应有利于提高分子的光学性质．理论研究结果较好地解释了实验工作．The one - and two- photon absorption properties of triphenylamine derivatives have been investigated at density function theory （DFT） level. The numerical results indicate that the one - photon absorption intensities are strengthened and the corresponding wavelength shows a red shift with the increasing number of the arms for the derivatives. The two - photon absorption cross - sections are also largely enhanced. The cooperative branch effect is contributed to enhance the optical properties of the molecules. The theoretical results give a good explanation for the experimental observation.

关 键 词：双光子吸收 枝间耦合效应 密度泛函理论 

分 类 号：O625.12[理学—有机化学]