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Sci Rep ; 11(1): 19242, 2021 09 28.
Article in English | MEDLINE | ID: mdl-34584124

ABSTRACT

Highly selective and sensitive 2,7-naphthyridine based colorimetric and fluorescence "Turn Off" chemosensors (L1-L4) for detection of Ni2+ in aqueous media are reported. The receptors (L1-L4) showed a distinct color change from yellow to red by addition of Ni2+ with spectral changes in bands at 535-550 nm. The changes are reversible and pH independent. The detection limits for Ni2+ by (L1-L4) are in the range of 0.2-0.5 µM by UV-Visible data and 0.040-0.47 µM by fluorescence data, which is lower than the permissible value of Ni2+ (1.2 µM) in drinking water defined by EPA. The binding stoichiometries of L1-L4 for Ni2+ were found to be 2:1 through Job's plot and ESI-MS analysis. Moreover the receptors can be used to quantify Ni2+ in real water samples. Formation of test strips by the dip-stick method increases the practical applicability of the Ni2+ test for "in-the-field" measurements. DFT calculations and AIM analyses supported the experimentally determined 2:1 stoichiometries of complexation. TD-DFT calculations were performed which showed slightly decreased FMO energy gaps due to ligand-metal charge transfer (LMCT).

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