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Theoretical insights into the sensing mechanism of a series of terpyridine-based chemosensors for TNP
Lu, Meiheng1,2,3; Zhang, Xuexiang1,3; Zhou, Panwang4; Tang, Zhe4; Qiao, Yan6; Yang, Yanqiang5; Liu, Jianyong1
Corresponding AuthorLiu, Jianyong(beam@dicp.ac.cn)
KeywordSensing mechanism Fluorescent sensor PET DFT Nitroaromatics
Source PublicationCHEMICAL PHYSICS LETTERS
2019-06-16
ISSN0009-2614
DOI10.1016/j.cplett.2019.03.041
Volume725Pages:45-51
Funding ProjectScience Challenging Program[JCKY2016212A501] ; National Natural Science Foundation of China[21533010] ; National Natural Science Foundation of China[21773238]
Funding OrganizationScience 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
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordINTRAMOLECULAR CHARGE-TRANSFER ; EXCITED-STATE ; PROTON-TRANSFER ; FLUORESCENCE MECHANISM ; SELECTIVE DETECTION ; TD-DFT ; EXPLOSIVES ; CONTINUUM ; SENSORS ; PROBES
AbstractIt 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.
Language英语
Funding OrganizationScience 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
WOS IDWOS:000465502700008
PublisherELSEVIER SCIENCE BV
Citation statistics
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/165509
Collection中国科学院大连化学物理研究所
Corresponding AuthorLiu, Jianyong
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Shenyang Univ Chem Technol, Coll Appl Chem, Shenyang 110142, Liaoning, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
4.Shandong Univ, Inst Mol Sci & Engn, Qingdao 266235, Shandong, Peoples R China
5.China Acad Engn Phys, Inst Fluid Phys, Natl Key Lab Shock Wave & Detonat Phys, Chengdu 610200, Sichuan, Peoples R China
6.Zhengzhou Univ, Dept Pathophysiol, Basic Med Coll, Zhengzhou 450001, Henan, Peoples R China
Recommended Citation
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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