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Further Develop 1,3,4-Thiadiazole Based Probe to Effectively Detect 2,4,6-Trinitrophenol with the Help of DFT Calculations

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Abstract

Four fluorimetric probes had been developed to rapidly detect 2,4,6-trinitrophenol (TNP). They were designed and synthesized on the basis of 1,3,4-thiadiazole framework combining calculation with experiment. Among them, SK-1 displayed strong blue emission with fluorescence quantum yield as high as 63.6% in solution. Further evaluation demonstrated that SK-1 displays good selectivity and high sensitivity for rapid and visual detection of TNP. It brought significant changes in both colour and fluorescence emission spectrum. The detection limit was as low as 38 nM. Quenching mechanism was confirmed as photo-induced electron transfer (PET) by nuclear magnetic titration and DFT calculations. What’s more, application in real water samples and solid phase paper tests illustrated the practical significance of detection of TNP in both vapor and solution.

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‘Gaussian 09, Revision D.01’ Liaoning Normal University.

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Funding

We are grateful for Scientific Research Fund of Liaoning Provincial Education Department (No. LJKQZ2021092).

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Authors and Affiliations

  1. College of Chemistry and Chemical Engineering, Liaoning Normal University, Huanghe Road 850#, Dalian, 116029, China

    Xuejiao Li, Yanxin Hu, Weijie Huang, Weiran Li, Ge Gao, Chengwei Lü & Yue An

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  1. Xuejiao Li
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  2. Yanxin Hu
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  3. Weijie Huang
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  4. Weiran Li
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  5. Ge Gao
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  6. Chengwei Lü
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  7. Yue An
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Contributions

Chengwei Lü contributed to the study conception and design. Material preparation and data collection were performed by Xuejiao Li, Yanxin Hu and Weijie Huang. Analysis was conducted by Xuejiao Li and Weiran Li. The first draft of the manuscript was written by Xuejiao Li, Ge Gao and Yue An. All authors read and approved the final manuscript.

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Correspondence to Chengwei Lü.

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Li, X., Hu, Y., Huang, W. et al. Further Develop 1,3,4-Thiadiazole Based Probe to Effectively Detect 2,4,6-Trinitrophenol with the Help of DFT Calculations. J Fluoresc 32, 1601–1610 (2022). https://doi.org/10.1007/s10895-022-02953-y

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  • DOI: https://doi.org/10.1007/s10895-022-02953-y

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