Articles written in Journal of Chemical Sciences

    • Experimental and computational investigation of highly selective dual-channel chemosensor for Al(III) and Zn(II) ions: construction of logic gates


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      The N,N'-Bis(salicylidene)-2-hydroxy-phenylmethanediamine (BSHPMD) was synthesized and characterized by IR, UV-Vis and 1H NMR spectroscopic techniques. The single crystal X-ray diffraction studies reveal that the compound had a monoclinic crystal system with C2/c space group. The cation recognizing profile of the receptor BSHPMD was explored by UV-Vis and fluorescence spectroscopic methods. The receptor was found to recognize selectively Al3+ and Zn2+ ions over a panel of other metal ions such as Na+ , Mg2+ , Ca2+ , Mn2+ , Co2+ , Ni2+ , Cu2+ , Sr2+ , Cd2+ , Ba2+ , Hg2+ and Pb2+ . The Job’s plot analysis reveals that BSHPMD binds with Al3+ and Zn2+ in 1:1 stoichiometry ratio. The binding constants of the receptor for Al3+ and Zn2+ were 2.13 × 103 and 16.23 × 103 M-1 , respectively. The detection limit for Al3+ and Zn2+ is 10.04 × 10-8 and 4.98 × 10-8 M, respectively. The NMR titration and IR titration studies reveal the sensing mechanism of BSHPMD. The multi-ion detection of BSHPMD is used to construct NAND and OR molecularlogic gates. Hirshfeld surface analysis based on DFT method with 3-21G as basis set is used to calculate various intermolecular interactions. Fingerprint plots are made to find out the percentage of different types of interactions.

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