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Thermodynamic and structural studies of complexation reactions of phenanthridine-based calix[4]arene derivative with alkaline earth metal cations

Calixarenes are a class of supramolecular hosts that can be easily functionalized to give receptors for various chemical species.Due to the prominent sensitivity of fluorescence spectroscopy and high affinity of these macrocyclic ligands towards cations, it is possible to prepare highly sensitive ion sensors by introducing fluorescent substituents into the calixarene moiety. In the scope of this work, the binding affinities of calix[4]arene derivative L towards alkaline earth metal cations in several organic solvents were investigated by means of isothermal titration calorimetry, UV and fluorescence spectroscopies, as well as molecular dynamics simulations. The obtained results provided a detailed insight into the complexation thermodynamics and structures of the ligand and complexes formed.

calix[4]arene ; phenantridine ; alkaline earth metal cations ; fluorescence

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