Isomerism and coordination mode effects on two-photon absorption of tris(picolyl)amine-based fluorescent probes for zinc ions  

作　　者：Ke Zhao Jun Song Mei-Yu Zhu Han Zhang Chuan-Kui Wang 赵珂;宋军;朱美玉;张瀚;王传奎(School of Physics and Electronics,Shandong Normal University)

机构地区：School of Physics and Electronics,Shandong Normal University,Jinan 250358,China

出　　处：《Chinese Physics B》2018年第10期293-299,共7页中国物理B（英文版）

基　　金：Project supported by the Natural Science Foundation of Shandong Province,China(Grant No.ZR2014AM026);the Taishan Scholar Project of Shandong Province,China

摘　　要：One-photon absorption and two-photon absorption（TPA） properties of three tris（picolyl）amine-based zinc ion sensors are investigated by employing the density functional response theory in combination with the polarizable continuum model.The different isomer and coordination geometry of each probe are taken into account. Special emphasis is placed on the effects of isomerism and the coordination mode on the optical properties. The intra-molecular charge transfer（ICT）properties are specified by natural bond orbital charge analysis. It is shown that the isomerism has non-negligible effects on TPA properties of free ligands. It is found that both the TPA wavelength and the cross section are highly dependent on the coordination mode. When the zinc ion connects with the picolyl unit in the middle of a ligand, the zinc complex has a large TPA intensity in a long wavelength range due to the increased ICT mechanism.One-photon absorption and two-photon absorption（TPA） properties of three tris（picolyl）amine-based zinc ion sensors are investigated by employing the density functional response theory in combination with the polarizable continuum model.The different isomer and coordination geometry of each probe are taken into account. Special emphasis is placed on the effects of isomerism and the coordination mode on the optical properties. The intra-molecular charge transfer（ICT）properties are specified by natural bond orbital charge analysis. It is shown that the isomerism has non-negligible effects on TPA properties of free ligands. It is found that both the TPA wavelength and the cross section are highly dependent on the coordination mode. When the zinc ion connects with the picolyl unit in the middle of a ligand, the zinc complex has a large TPA intensity in a long wavelength range due to the increased ICT mechanism.

关 键 词：two-photon absorption ISOMERISM coordination mode zinc ion 

分 类 号：TH742[机械工程—光学工程]