Charge transfer complex based real-time colorimetric chemosensor for rapid recognition of dinitrobenzene and discriminative detection of Fe2+ ions in aqueous media and human hemoglobin

摘要: Abstract A cost-effective and easy to prepare colorimetric aqueous medium dual chemosensor (S1) as a charge transfer complex (CTC) in the form of precipitate was synthesized by one step procedure. S1 showed highly selective fluorescence quenching response towards 1,3-dinitrobenzene over other nitro explosives with low detection limit 0.084 ppb binding constant 8.51 × 102 M−1. also discriminative between Fe2+ Fe3+ state metal ions, which can be noticed color difference among naked eye. This two states Fe ion found human deoxyhemoglobin (HHb) oxyhemoglobin (HbO2) 132.53 M-1 26.46 M−1respectively. Molecular docking hemoglobin provides free energy values –275 kcal mol–1 -253 kcal mol–1 (HbO2), represents that binds HHb more efficiently than HbO2. The sensing material [(PYRH)+(DNBA)-] characterized SC-X-ray study, FTIR, 1H NMR, TG/DTA Hirshfeld surface analysis. UV–vis spectrophotometry reveals formation dependent on solvent polarity KCT eCT physical parameters like ECT, ID, RN, ΔG, f μEN were calculated using spectrophotometric data. 1:1 stoichiometry depicted straight-line method Benesi-Hildebrand equation. DFT studies provide comparable theoretical data HOMO-LUMO band gap Δ E = 3.515 e V . N+–H---O- bonding reactants have an important role interaction S1, proving this approach CTC synthesis novel.