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+, Hg2+, Cu2+ 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.
| Original language | English |
|---|---|
| Pages (from-to) | 89-96 |
| Number of pages | 8 |
| Journal | Dyes and Pigments |
| Volume | 116 |
| DOIs | |
| Publication status | Published - 2015 May |
Bibliographical note
Publisher Copyright:© 2015 Elsevier Ltd. All rights reserved.
Keywords
- AIM analysis
- Chemosensor
- Fluorescence
- Hg(II), Cu(II), Ag(I) ions
- NBO analysis
- TD-DFT calculations
ASJC Scopus subject areas
- General Chemical Engineering
- Process Chemistry and Technology