engleski

Phenanthridine-based calix[4]arene derivates: complexation with alkali metal cations

Calixarenes are a class of supramolecular hosts that can be easily functionalized with suitable donor groups at the lower and/or upper rim to give efficient receptors for various chemical species. Those bearing fluorescent moieties can be considered as potentially very sensitive fluorimetric ion sensors due to the prominent sensitivity of fluorescence spectroscopy and high affinity of these macrocyclic ligands towards cations. In the scope of this work, the binding affinities of calix[4]arene derivatives L1 and L2 towards alkali metal cations in acetonitrile, methanol and ethanol were investigated by means of UV spectrophotometry, fluorimetry and isothermal titration calorimetry. The thermodynamic parameters of the corresponding reactions were determined and discussed. The results obtained by molecular dynamics simulations and DFT calculations, together with those of NMR experiments, provided an additional insight into the structures and complexation properties of the ligands and the complexes formed.

calix[4]arenes ; alkali metal receptors ; thermodynamics ; solvation ; fluorescence

nije evidentirano