Sign Response Mechanism of TCA Self-assembled Fluorescence Probe for Cu^2＋ Detection： FRET Evidence by DFT  

作　　者：李福君 洒荣健 

机构地区：[1]Key Lab of Eco-restoration of Regional Contaminated Environment(Shenyang University),Ministry of Education [2]Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences

出　　处：《Chinese Journal of Structural Chemistry》2018年第8期1186-1200,共15页结构化学（英文）

基　　金：supported by the Natural Science Foundation of Liaoning Province(201602516);Shenyang Project of Young and Middle-aged Innovative Talents of Science and Technology(RC170244)

摘　　要：A new type of self-assembled molecule ON-OFF fluorescence probe for toxic transition metal ions, made up of thiacalix[4]arene, micelle and fluorescence group, has been studied by DFT/TDDFT method combined with experiment spectra. Since the mechanism of the optical quenching signal response of such self-assembled micelle probe has always been a controversial issue of uncertainty, the spatial construction and geometric structures of the functional units of probe in the Cu2＋ ion detecting process were calculated and the mechanism was investigated by the molecular transition orbital pairs method to explore the origination of ON-OFF fluorescence sign response. The results presented that the signal response mechanism of the micelle probe is ascribed to F？rster resonance energy transfer（FRET） which provides new sights different from most of the conclusions by the related research work reported.A new type of self-assembled molecule ON-OFF fluorescence probe for toxic transition metal ions, made up of thiacalix[4]arene, micelle and fluorescence group, has been studied by DFT/TDDFT method combined with experiment spectra. Since the mechanism of the optical quenching signal response of such self-assembled micelle probe has always been a controversial issue of uncertainty, the spatial construction and geometric structures of the functional units of probe in the Cu2＋ ion detecting process were calculated and the mechanism was investigated by the molecular transition orbital pairs method to explore the origination of ON-OFF fluorescence sign response. The results presented that the signal response mechanism of the micelle probe is ascribed to F？rster resonance energy transfer（FRET） which provides new sights different from most of the conclusions by the related research work reported.

关 键 词：ON-OFF fluorescence probe density functional theory FOster resonance energytransfer heavy metal ions detection micelle self-assembled complex 

分 类 号：O657.3[理学—分析化学]