title: A new Dual-Channel Chemosensor Based on Chemodosimeter Approach for Detecting Cyanide in Aqueous Solution: a Combination of Experimental and Theoretical Studies.
abstract: 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.
authors.affiliation: Department of Fine Chemistry and Department of Interdisciplinary Bio IT Materials, Seoul National University of Science and Technology, Seoul, 139-743, Korea.
authors.forename: Jae Jun
authors.initials: JJ
authors.lastname: Lee
authors.affiliation: Department of Fine Chemistry and Department of Interdisciplinary Bio IT Materials, Seoul National University of Science and Technology, Seoul, 139-743, Korea.
authors.forename: Sun Young
authors.initials: SY
authors.lastname: Lee
authors.affiliation: Department of Fine Chemistry and Department of Interdisciplinary Bio IT Materials, Seoul National University of Science and Technology, Seoul, 139-743, Korea.
authors.forename: Kwon Hee
authors.initials: KH
authors.lastname: Bok
authors.affiliation: Department of Fine Chemistry and Department of Interdisciplinary Bio IT Materials, Seoul National University of Science and Technology, Seoul, 139-743, Korea. chealkim@snut.ac.kr.
authors.forename: Cheal
authors.initials: C
authors.lastname: Kim
mesh_terms: D002623:Chemistry Techniques, Analytical / Q000295:instrumentation*; D003124:Colorimetry; D003486:Cyanides / Q000032:analysis* / Q000737:chemistry; D005456:Fluorescent Dyes / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D011789:Quantum Theory; D012996:Solutions; D014867:Water / Q000737:chemistry*; D014874:Water Pollutants, Chemical / Q000032:analysis* / Q000737:chemistry
chemical_list: D003486:Cyanides; D005456:Fluorescent Dyes; D012996:Solutions; D014874:Water Pollutants, Chemical; D014867:Water
keywords: Colorimetric; Cyanide; DFT calculations; Fluorescent