A fluoride selective water-soluble anion receptor based on a 1,2-phenylenediacetic acid and calcium ion dimer

Abstract

The dimeric receptor 1 from 1,2-phenylenediacetic acid and calcium ions recognized fluoride ions almost exclusively in 100% water. This recognition could be explained by the electrostatic interaction between Ca²⁺ and fluoride, complementarity of the receptor binding cavity size to the size of the fluoride ion, hydrogen bonding from benzylic C–H and the hydrophobic effect. DFT calculation results were in good agreement with the experimental results.