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Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP

文献类型：期刊论文

作者Lu, Meiheng2,3,4; Zhang, Xuexiang2,4; Zhou, Panwang5; Tang, Zhe5; Qiao, Yan6; Yang, Yanqiang1; Liu, Jianyong2
刊名CHEMICAL PHYSICS LETTERS
出版日期2019-06-16
卷号725页码:45-51
关键词Sensing mechanism Fluorescent sensor PET DFT Nitroaromatics
ISSN号0009-2614
DOI10.1016/j.cplett.2019.03.041
通讯作者Liu, Jianyong(beam@dicp.ac.cn)
英文摘要It is of high importance to develop high-efficient chemosensors for explosive nitroaromatics and explore their sensing mechanisms. In this work, the sensing mechanisms of a series of arylene-vinylene terpyridine conjugated fluorescent probes (P1-P4) for TNP have been investigated in depth. The optical discrepancy of P4 is attributed to the different electron excitation distribution caused by the strong intramolecular twist. The rational combination complex has been proposed and further confirmed with Gibbs free energy profile and H-1 NMR analysis. Frontier molecular orbitals (FMOs) analysis demonstrates that photo-induced electron transfer (PET) is the fluorescence quenching mechanism for the TNP detection.
WOS关键词INTRAMOLECULAR CHARGE-TRANSFER ; EXCITED-STATE ; PROTON-TRANSFER ; FLUORESCENCE MECHANISM ; SELECTIVE DETECTION ; TD-DFT ; EXPLOSIVES ; CONTINUUM ; SENSORS ; PROBES
资助项目Science Challenging Program[JCKY2016212A501] ; National Natural Science Foundation of China[21533010] ; National Natural Science Foundation of China[21773238]
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:000465502700008
出版者ELSEVIER SCIENCE BV
资助机构Science Challenging Program ; Science Challenging Program ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Science Challenging Program ; Science Challenging Program ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Science Challenging Program ; Science Challenging Program ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Science Challenging Program ; Science Challenging Program ; National Natural Science Foundation of China ; National Natural Science Foundation of China
源URL[http://cas-ir.dicp.ac.cn/handle/321008/165508]  
专题大连化学物理研究所_中国科学院大连化学物理研究所
通讯作者Liu, Jianyong
作者单位1.China Acad Engn Phys, Inst Fluid Phys, Natl Key Lab Shock Wave & Detonat Phys, Chengdu 610200, Sichuan, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
3.Shenyang Univ Chem Technol, Coll Appl Chem, Shenyang 110142, Liaoning, Peoples R China
4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
5.Shandong Univ, Inst Mol Sci & Engn, Qingdao 266235, Shandong, Peoples R China
6.Zhengzhou Univ, Dept Pathophysiol, Basic Med Coll, Zhengzhou 450001, Henan, Peoples R China
推荐引用方式
GB/T 7714		 Lu, Meiheng,Zhang, Xuexiang,Zhou, Panwang,et al. Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP[J]. CHEMICAL PHYSICS LETTERS,2019,725:45-51.
APA Lu, Meiheng.,Zhang, Xuexiang.,Zhou, Panwang.,Tang, Zhe.,Qiao, Yan.,...&Liu, Jianyong.(2019).Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP.CHEMICAL PHYSICS LETTERS,725,45-51.
MLA Lu, Meiheng,et al."Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP".CHEMICAL PHYSICS LETTERS 725(2019):45-51.

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来源：大连化学物理研究所

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