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A novel high performance nano chemosensor for copper (II) ion based on an ultrasound-assisted synthesized diphenylamine-based Schiff base: Design, fabrication and density functional theory calculations.
Ultrasonics Sonochemistry 2018 March
A novel high selective colorimetric chemosensor was introduced based on a nano diphenyl-based Schiff base (H2 L), 2,2'-((1E,1'E)-(((hexylazanediyl)bis(4,1-phenylene))bis(methanylylidene))bis(azanylylidene))bis(4-methylphenol) that synthesized using sonochemical method. H2 L was characterized by FT-IR, MS, TGA,1 H NMR,13 C NMR, SEM and elemental analysis techniques, then fabricated as the portable strips for sensing copper (II) ions in aqueous media. The binding interaction between H2 L and various metal ions was investigated by UV-Vis spectroscopic that showed favorable coordination toward Cu2+ ion. H2 L exhibited binding-induced color changes from yellow to pink and practically no interference in the presence of other metal ions, i.e., Cr2+ , Mn2+ , Fe2+ , Co2+ , Ni2+ , Zn2+ , Cd2+ , Hg2+ , Pb2+ , Mg2+ and Ca2+ . The chemsensor showd the color change from yellow to pink in presence of copper (II) ion in aqueous media due to binging of H2 L and Cu (II). This sensor can determine the copper (II) at in the rang of 7.5 × 10-8 -1.8 × 10-5 mol L-1 with a correlation equation: Absorbance = 0.0450[Cu2+ ] × 10-6 + 0.71 and R2 = 0.975 and low detection limit of 1.89 × 10-8 mol L-1 . Density functional theory (DFT) calculations were carried out at the B3LYP levels of theory with B3LYP/6-311+G(d,p) and LANL2DZ/6-311+G(d,p) basis sets for chemosensor and its copper complex respectively. The optimized geometry, harmonic vibrational frequencies,1 H NMR and13 C NMR chemical, Molecular orbital (M.O.), Mulliken population analysis (MPA), contour of Electrostatic Potential (ESP) and Molecular Electrostatic Potential (MEP) map of H2 L were calculated which show good agreement with behavior of sensor for detection of Cu2+ ion.
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