A highly sensitive fluorescent chemosensor for simultaneous determination of Ag(I), Hg(II), and Cu(II) ions: Design, synthesis, characterization and application. (May 2015)

• Record Type: Journal Article
• Authors: Hien, Nguyen Khoa; Bao, Nguyen Chi; Ai Nhung, Nguyen Thi; Trung, Nguyen Tien; Nam, Pham Cam; Duong, Tran; Kim, Jong Seung; Quang, Duong Tuan
• Is Part Of: Dyes and pigments. Volume 116(2015)
• Page Start: 89
• Page End: 96
• Publication Date: 2015-05
• Subjects: Chemosensor -- Fluorescence -- AIM analysis -- NBO analysis -- TD-DFT calculations -- Hg(II), Cu(II), Ag(I) ions; Dyes and dyeing -- Periodicals; Pigments -- Periodicals; 667.2
• DOI: 10.1016/j.dyepig.2015.01.014
• Languages: English
• ISSNs: 0143-7208

Abstract

Abstract: A fluorescent chemosensor based on dimethylaminocinnamaldehyde-aminothiourea (DA) has been designed, synthesized, and applied with a combined theoretical and experimental study. The synthetic path, optimized molecular structure and characteristics of DA were carried out using the calculations at the B3LYP/LanL2DZ level of theory. The experimental investigations have a good agreement with the theoretical results. DA can be used as a chemosensor for simultaneous quantification of silver, copper, and mercury ions in aqueous solution at the ppb level. The stable geometric structures of the complexes between DA and Ag +, Hg 2+, Cu 2+ with stoichiometry of 1:1, 2:1, and 2:1, have been found and investigated for electronic properties and fluorescence quenching phenomena by using Atoms in Molecules (AIM) and Natural Bond Orbitals (NBO) analyses. Graphical abstract: Highlights: A chemosensor has been studied with a combined theoretical and experimental study. Suitable for detecting trace amounts of Ag(I), Hg(II), Cu(II) ions at the ppb concentration level. High water solubility, simplicity, rapid analysis time, wide range of pH. The stable geometric structures of the complexes have been found and investigated. The fluorescence quenching of complexes is studied by using AIM and NBO analyses.