A Sensor for the Detection of Cr (III) and Fe (III) Ions Based on "Turn Off" Mechanism of Fluorescence with Computational Studies.

A new and innovative fluorescent structure was constructed on Cyclotriveratrylene affiliated to Dansyl chloride (DNSC) and was used to detect Cr (III) and Fe (III) among the various cations by using spectrofluorimetric method. The characterization of the new compound was carried out using the 1H-NMR, 13C-NMR, and ESI-MS techniques. The interaction and role of DNSC-CTV with cations was reviewed. A change in the spectra of absorption directed to the conclusion that there is substantial interaction of Cr (III) and Fe (III) with DNSC-CTV. Furthermore the interaction of the ligand DNSC-CTV with the metal ions Chromium (III) and Iron (III) showed quenching in the emission spectra. Quantum yield of the complexes were calculated and the stern volmer analysis was done to deduce the quenching mechanism of fluorescence to being either static or dynamic. The molecule DNSC-CTV was further studied with the help of computational methods such as molecular docking to study the binding interactions and properties of the molecule.