Chromophoric Ion Receptor-Decorated Porous Monolithic Polymer for the Solid-State Naked Eye Sensing of Hg(II): An Experimental and Theoretical Approach

[Image: see text] The current work presents a perspective to obliterate toxic Hg(II) from an aqueous environment, a strategic environmental remediation and decontamination measure. We report a simple, efficient, and reusable solid-state visual sensing strategy for the selective detection and quantitative recovery of ultratrace Hg(II). The capture of Hg(II) ions was effectuated using a macro-/mesoporous polymer monolith uniformly decorated with an azo-based chromophoric ion receptor, i.e., 7-((1H-benzo[d]imidazol-2-yl)diazenyl)quinolin-8-ol (BIDQ). The porous polymer template was synthesized through free radical polymerization of gylcidylmethacrylate and ethylene glycol dimethacrylate, leading to distinct structural and surface properties that offer exclusive solid-state colorimetric selectivity for Hg(II) upon restricted spatial dispersion of the ion receptor. The sensor provides a broad linear response range of 1–200 μg/L, with an outstanding detection limit of 0.2 μg/L for Hg(II) ions, thus effectuating reliable and reproducible sensing. Optimizing analytical parameters such as solution pH, receptor concentration, sensor quantity, kinetics, temperature, and matrix interference proved to be promising for the real-time monitoring of toxic mercury ions from aqueous/industrial systems, with maximum response in the pH range of 7.5–8.0, with a response time of ≤80 s. Density functional theory (DFT) calculations were employed to study the electronic structure of BIDQ upon chelating with Hg(II) ions, using 6-311G and LAND2Z basis sets.