Abstract
Hg and Cd are the two most toxic heavy metal ions that could be found in aqueous solutions. In this study, a chemosensor based on 5-(4-((4-nitrophenyl) diazenyl) phenyl)-1,3,4-oxadiazole-2-thiol (DOT) was reported to detect these ions simultaneously. DOT showed high selectivity towards Hg ion by changing the color of the solution from beige to gold-yellow at different concentrations of Hg ion. In comparison, other relevant metals, such as Li(+), Na(+), K(+), Cs(+), Mg(2+), Ca(2+), Al(3+), Fe(2+), Ag(+), Cu(2+), Pb(2+), Ni(2+), Zn(2+), Cr(3+), Fe(3+), Pb(4+), Mn(2+), and Cd(2+) did not affect the color of the DOT solution as the interfering ions. Despite no changes in the color of DOT solution in the presence of Cd ion, a solution containing DOT-Hg complex was changed from gold-yellow to orange by adding Cd ion, providing an approach for detecting Hg and Cd ion simultaneously with UV-Vis and Fluorescent spectroscopy. DOT exhibited a high association constant with a detection limit of 0.05 μM for Hg and Cd ions in an aqueous solution. The results of quantum mechanics (QM) calculations were also consistent with the experimental observations, which indicated that changes in the band gap could explain the various colors of DOT complex with metal ions.