New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol

doi:10.1016/j.saa.2019.01.077

	New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol
	Liu, Runze 1,2; Ma, Yinhua 1,2; Liu, Jianyong 2; Yang, Yanqiang 4; Chu, Tianshu 2,3
刊名	SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
	2019-04-15
卷号	213 页码:309-317
关键词	Fluorescence emission Fluorescence quenching Dynamical sensing mechanism pi-pi stacking interaction Hydrogen-bonding interaction Photo-induced electron transfer
ISSN号	1386-1425
DOI	10.1016/j.saa.2019.01.077
通讯作者	Chu, Tianshu(tschu@dicp.ac.cn)
英文摘要	For TNP chemosensor 2-(4,5-Bis(4-Chlorophenyl)-1H-Imidazol-2-yl)-4-Chlorolphenol (HPICI), previous thought with no theoretical basis was that excited-state intramolecular proton transfer (ESIPT) process and the ground-state HPICI-TNP complex are mainly responsible for its fluorescence emission and the detection of TNP. However, this interpretation has been proved to be wrong by the present theoretical DFT/TDDFT explorations. Actually, the strong fluorescence of HPICI is mainly induced by the local excitation of the enol form HPICI(E) without ESIPT, and the fluorescence quenching by TNP is due to the photo-induced electron transfer (PET) process together with the cooperative effect of hydrogen-bonding interaction and p-p stacking interaction coexisting in the HPICI-TNP complex. The strengthened excited-state hydrogen bond promotes the PET process, thus facilitates the fluorescence quenching. This mechanismis proposed on the basis of the theoretical analyses on molecule geometry, binding energy, Gibbs free energy, electronic transitions, and frontier molecular orbitals (FMOs). (C) 2019 Elsevier B.V. All rights reserved.
资助项目	Science Challenging Program[JCKY2016212A501] ; National Natural Science Foundation of China[21273234] ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS[SKLMRD-K201817]
WOS关键词	DENSITY-FUNCTIONAL THEORY ; INTRAMOLECULAR CHARGE-TRANSFER ; PYRENE-BASED CHEMOSENSOR ; METAL-ORGANIC FRAMEWORK ; EXCITED-STATE ; PICRIC ACID ; PHOTOPHYSICAL PROPERTIES ; PROTON-TRANSFER ; PROBE ; SENSOR
WOS研究方向	Spectroscopy
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000471314400040
资助机构	Science Challenging Program ; Science Challenging Program ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Science Challenging Program ; Science Challenging Program ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Science Challenging Program ; Science Challenging Program ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; Science Challenging Program ; Science Challenging Program ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS ; State Key Laboratory of Molecular Reaction Dynamics in DICP, CAS
内容类型	期刊论文
源URL	[http://cas-ir.dicp.ac.cn/handle/321008/175745]
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	Chu, Tianshu
作者单位	1.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China 3.Qingdao Univ, Inst Computat Sci & Engn, Lab New Fiber Mat & Modem Text, Growing Base Stale Key Lab,Sch Phys Sci, Qingdao 266071, Shandong, Peoples R China 4.China Acad Engn Phys, Inst Fluid Phys, Key Lab Shock Wave & Detonat Phys, Mianyang 621900, Sichuan, Peoples R China
推荐引用方式 GB/T 7714	Liu, Runze,Ma, Yinhua,Liu, Jianyong,et al. New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,2019,213:309-317.
APA	Liu, Runze,Ma, Yinhua,Liu, Jianyong,Yang, Yanqiang,&Chu, Tianshu.(2019).New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol.SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,213,309-317.
MLA	Liu, Runze,et al."New perspective on the fluorescence and sensing mechanism of TNP chemosensor 2-(4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl)-4-chlorolphenol".SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY 213(2019):309-317.