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The new benzimidazole based receptor  Lansoprazole  has been used to detect carbonate anion by naked-eye and Uv-Vis spectroscopy. This receptor revealed visual changes withCO    3    2  -anion in ethanol. No detectable color changes were observed upon the addition of any other tested anions. The lansoprazole chemosensor selectively recognizesCO    3    2  -ion over the other interference anions in the ethanol, followed by deprotonation and reflected 1:1 complex formation between the receptor and the carbonate ion. Lansoprazole exhibits splendid selectivity toward carbonate ion via a visible color change from colorless to yellow with a detection limit of 57 μM. The binding mode ofCO    3    2  -to receptor  L  is supported by Density Functional Theory calculation. Moreover, this receptor shows a practical visible colorimetric test strip for the detection of carbonate ions. The transition states calculation demonstrates the occurrence of reaction from  L  to  L -CO    3    2  -after overcoming an energy barrier of 10.1 kcal/mol, and there is considerable interaction energy between  L  andCO    3    2  -(94.9 kJ/mol), both of which confirmed that receptor  L  has high sensitivity and selectivity to the carbonate ion. The theoretical studies were performed to acquire an electronic description of the complexation mechanism byCO    3    2  -as well as to study bonding and structure in the complex. The optimized structures and binding mechanisms were supported with a high correlation and agreement by spectroscopy and DFT calculations.

Lansoprazole-Based Colorimetric Chemosensor for Efficient Binding and Sensing of Carbonate Ion: Spectroscopy and DFT Studies