@Article{, title={Spectrophotometric determination of nickel (II) in waters and soils:Novel chelating agents and their biological applications supportedby DFT method}, author={B. Natesh Kumara, S. Kanchib, M.I. Sabelab, K. Bisettyb, N.V.V. Jyothi}, journal={Karbala International Journal of Modern Science مجلة كربلاء العالمية للعلوم الحديثة}, volume={2}, number={4}, pages={239-250}, year={2016}, abstract={A simple and rapid method using two imine ligands,(E)-N1-(2-hydroxy-5-nitrobenzylidene) isonicotinoylhydrazone and 2-(4-fluoro benzylideneamino) benzenethiol for the analysis of nickel(II) is proposed. The ligands react with nickel(II) at pH 4.0 and 4.7to form red and pale purple complexes respectively with a stoichiometric ratio's of 1:1. The complexes obeyed Beer's law in therange of 0.8e20.0mgL1with an excellent linearity depicted by correlation coefficient value of 0.9996. The molar absorptivity andSandell's sensitivity were found to be 5.1104, 6.3104L mol1cm1and 0.98, 0.91 ng cm2for the red or pale purple complexsystems. The limit of detection for nickel(II) was noted as 0.89 and 0.82 ng L1. The method was successfully applied for thedetermination of nickel (II) in various waters and soils. Additionally,in vitroantibacterial activities of the complexes have beenevaluated against gram positive (Bacillus subtillisandStaphylococcus aureus) and gram negative (Escherichia coliandPseudo-monas aeruginosa) bacteria. Density functional theory calculations were performed to compute HOMO-LUMO band gaps for theprediction of the binding affinities of the complexes.

} }