title: A triazole Schiff base-based selective and sensitive fluorescent probe for Zn²⁺: A combined experimental and theoretical study.
abstract: A triazole-Schiff base, 4-(5-Chloro-2-hydroxybenzylideneamino)-1H-1,2,4-triazole-5(4H)-thione (HL), exhibits the high selectivity and sensitivity for Zn(2+) in the fluorescence spectrometry over other common metal ions, especially Cd(2+) in DMSO:H2O (1:9, v/v) solution. A 1:1 binding ratio of Zn(2+)/L for the complex has been obtained by Uv-Vis titration experiments and Job's plot with the detection limit of 51 nmol/L. The coordination mode of the complex in solution was further confirmed by density functional theory (DFT) calculations. Time-dependent density functional theory (TD-DFT) calculations indicate that a chelation-enhanced fluorescence (CHEF) effect occurs in the process of detecting Zn ion.
authors.affiliation: Institute of Molecular Science, Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, Taiyuan, Shanxi 030006, PR China.
authors.forename: Caixia
authors.initials: C
authors.lastname: Yuan
authors.affiliation: Institute of Molecular Science, Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, Taiyuan, Shanxi 030006, PR China.
authors.forename: Xinyu
authors.initials: X
authors.lastname: Liu
authors.affiliation: Institute of Molecular Science, Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, Taiyuan, Shanxi 030006, PR China.
authors.forename: Yanbo
authors.initials: Y
authors.lastname: Wu
authors.affiliation: Institute of Molecular Science, Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, Taiyuan, Shanxi 030006, PR China. Electronic address: luliping@sxu.edu.cn.
authors.forename: Liping
authors.initials: L
authors.lastname: Lu
authors.affiliation: Institute of Molecular Science, Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, Taiyuan, Shanxi 030006, PR China. Electronic address: miaoli@sxu.edu.cn.
authors.forename: Miaoli
authors.initials: M
authors.lastname: Zhu
keywords: Chemosensor; Fluorescence; Theoretical calculation; Triazole; Zn ion