Colorimetric Cyanide Chemosensor Based on an Amide‐Pyrene Moiety: Experimental and Theoretical Studies

Abstract

A new simple colorimetric sensor 1 based on amide‐pyrene moiety was designed and synthesized for cyanide (CN ‐) in aqueous solution. The sensor 1 showed high selectivity toward CN −, which induces an immediate color change from colorless to yellow for cyanide over other anions. Moreover, the sensor 1 could be used efficiently in a wide pH range (7–10) with no interference from other anions. The sensing of CN − was found to be reversible with a proper reagent such as HCl. Additionally, the sensing mechanism for CN − was theoretically supported by density functional theory and time‐dependent density functional theory calculations. Therefore, sensor 1 can serve as a practical chemosensor for cyanide in aqueous solution.