%0 Journal Article %T A triazole Schiff base-based selective and sensitive fluorescent probe for Zn²⁺: A combined experimental and theoretical study. %A Yuan C %A Liu X %A Wu Y %A Lu L %A Zhu M %J Spectrochim Acta A Mol Biomol Spectrosc %V 154 %N 0 %D Feb 2016 5 %M 26529638 %F 4.831 %R 10.1016/j.saa.2015.10.035 %X 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.