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

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, (1)H NMR titration and ESI-mass spectrometry analysis. Moreover, the sensing mechanism for CN(-) was theoretically supported by DFT and TD-DFT calculations.