Rapid colorimetric discrimination of cyanide ions - mechanistic insights and applications.

In this work, we have employed an intramolecular charge transfer-based DMN colorimetric probe for the rapid naked-eye detection of cyanide ions in solution as well as real water samples. The intermolecular interaction between the DMN probe and cyanide ions in solution was investigated using a combination of spectroscopic and computational methods in this study. The DMN probe exhibited a selective colorimetric response for cyanide ions over the other anions exposed. The cyanide sensing mechanism of the probe has been investigated by 1 H NMR titration and density functional theory calculations. The results reveal that the colorimetric response of the DMN probe is due to the Michael adduct formation in the β-conjugated position of the dicyanovinyl group with cyanide, which blocks intramolecular charge transfer transition. Under optimized experimental conditions, the DMN probe showed a linear plot in the concentration range of 0.01-0.25 μM, with a detection limit of 23 nM. Further, a 3D printed portable accessory for the smartphone and an open-source android application is developed to suit the DMN probe for on-site work. In addition, we have developed the microfluidic paper-based analytical device that could selectively detect cyanide ions at very low concentration using a colorimetric DMN probe. In addition, the DMN probe was effectively used to determine the cyanide ion in a variety of water samples.