Two-photon absorption properties of aggregation systems on the basis of (E)-4-(2-nitrovinyl) benzenamine molecules  

作　　者：王传奎 张珍 丁明翠 李小静 孙元红 赵珂 

机构地区：[1]College of Physics and Electronics, Shandong Normal University [2]Fundamental Division, Shandong Police College

出　　处：《Chinese Physics B》2010年第10期230-235,共6页中国物理B（英文版）

基　　金：Project supported by the National Basic Research Program of China (Grant No. 2006CB806000);the Open Fund of the State Key Laboratory of High Field Laser Physics (Shanghai Institute of Optics and Fine Mechanics);the National Natural Science Foundation of China (Grant No. 10974121)

摘　　要：Aggregation effect caused by the intermolecular hydrogen-bonding interactions on two-photon absorption prop- erties of （E）-4-（2-nitrovinyl） benzenamine molecules is studied at a hybrid density functional level. The geometry optimization studies indicate that there exist two probable conformations for the dimers and three for the trimers. A strong red-shift of the charge-transfer states is shown. The two-photon absorption cross sections of the molecule for certain conformations are greatly enhanced by the aggregation effect, from which a ratio of 1.0：2.6：3.6 is found for the molecule and its dimer and trimer with nearly planar structures. Namely, a 30 or 20 percent increase of the two-photon absorption cross section is observed.Aggregation effect caused by the intermolecular hydrogen-bonding interactions on two-photon absorption prop- erties of （E）-4-（2-nitrovinyl） benzenamine molecules is studied at a hybrid density functional level. The geometry optimization studies indicate that there exist two probable conformations for the dimers and three for the trimers. A strong red-shift of the charge-transfer states is shown. The two-photon absorption cross sections of the molecule for certain conformations are greatly enhanced by the aggregation effect, from which a ratio of 1.0：2.6：3.6 is found for the molecule and its dimer and trimer with nearly planar structures. Namely, a 30 or 20 percent increase of the two-photon absorption cross section is observed.

关 键 词：two-photon absorption aggregate effect hydrogen bonding organic molecule 

分 类 号：O437[机械工程—光学工程] O561[理学—光学]