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A new Dual-Channel Chemosensor Based on Chemodosimeter Approach for Detecting Cyanide in Aqueous Solution: a Combination of Experimental and Theoretical Studies

机译:实验和理论研究相结合的基于化学计量学方法的新型双通道化学传感器检测水溶液中的氰化物

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摘要

A new colorimetric and fluorescent receptor 1 for the detection of CN- has been simply developed. Receptor 1 showed selectively colorimetric and fluorometric responses to CN- in a near-perfect aqueous solution, respectively. This sensor displayed an obvious color change from yellow to colorless upon selective binding with CN-. In addition, it could function as an "OFF-ON type" fluorescent response through a nucleophilic addition mechanism. The binding mode of receptor 1 with CN- was proposed to be 1:1, based on Job plot, H-1 NMR titration and ESI-mass spectrometry analysis. Moreover, the sensing mechanism for CN- was theoretically supported by DFT and TD-DFT calculations.
机译:已经简单地开发了用于检测CN-的新的比色和荧光受体1。受体1在接近完美的水溶液中分别显示出对CN-的选择性比色和荧光响应。与CN-选择性结合后,该传感器显示出从黄色到无色的明显颜色变化。另外,它可以通过亲核加成机理起到“ OFF-ON型”荧光反应的作用。基于Job图,H-1 NMR滴定和ESI质谱分析,建议受体1与CN-的结合模式为1:1。此外,DFT和TD-DFT计算在理论上支持了CN-的感应机制。

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