Abstract
A new coumarin based Schiff-base dual chemosensor-(E)-2-(((8-hydroxyquinolin-2-yl)methylene)amino)-6H-benzo[c]chromen-one (H10L) was synthesized and characterized. This chemosensor was evaluated as a colorimetric sensor for Fe3+ and fluorescence turn-on response for Zn2+ among the various survey metal ions. The stoichiometric ratio and association constant were evaluated using Benesi-Hildebrand relation giving 1:1 stoichiometry. This further corroborated 1:1 complex formation based on Job’s plot analyses. The complex solution of H10L with Zn2+ ion exhibited reversibility with EDTA and regenerate free ligand for further Zn2+ sensing. H10L exhibits two INHIBIT logic gates with two different chemical inputs (i) Zn2+ (IN1) and Cu2+ (IN2) and (ii) Zn2+ (IN1) and EDTA (IN2) and the emission as an output. Again, an IMPLICATION logic gate is obtained with Cu2+ and EDTA as chemical inputs and emission as output mode. Both free ligand as well as metal-complexes was optimised using density functional theory. The calculated vibrational frequency confirms that both are at local minima on the potential energy surfaces. The corresponding energy difference between HOMO and LUMO of H10L, Zn-complex and Cu-complex are found to be 3.67, 1.63 and 2.01eV, respectively. The Cu-complex is found to be more stable than Zn-complex as Cu-complex has higher hardness value compare to Zn-complex.
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