Ratiometric colorimetric detection of fluoride ions using a schiff base sensor: enhancing selectivity and sensitivity for naked-eye analysis.

A Schiff base receptor with an active -NH group was designed and synthesized for the selective and sensitive colorimetric detection of inorganic fluoride (F - ) ions in an aqueous medium. The sensitivity of the receptor for F - ions was enhanced by the influence of two electron-withdrawing -NO 2 groups at ortho and para positions which result in a vivid color change. The receptor underwent a remarkable color change from light yellow to violet, enabling naked-eye detection of F - ions without the need for spectroscopic equipment. To ensure the structural integrity of the synthesized receptors, prominent spectroscopic techniques such as 1 H NMR, FTIR, and GCMS analysis were used for characterization. With a limit of detection (LoD) of 0.0996 ppm, a 1 : 2 stoichiometric binding ratio was observed for receptor and F - ions. The binding mechanism confirmed the deprotonation of the -NH group followed by the formation of -HF 2 , resulting in an intramolecular charge transfer (ICT) transition, which correlates with UV-vis and 1 H NMR titration results. In addition, the proposed binding mechanism of F - ion interaction with the receptor was theoretically validated using DFT and TDDFT calculations. Furthermore, as a real-life implementation of the receptor, quantification of the F - ions present in a commercially available mouthwash was demonstrated. To assess the sensitivity performance, a paper-based dip sensor and a solid substrate sensor by functionalizing the receptor on diatomaceous earth were demonstrated. Finally, sensors were built into smartphones that could recognize the red, green, and blue percentages (RGB%) where each parameter defines the intensity of the color, which could also be used as a supplement to the colorimetric investigations.