Abstract
Cadmium-113 nuclear magnetic resonance was used as a sensitive probe to study the interaction of Cd2+ ion with 15-crown-5 and benzo-15-crown-5 in acetonitrile and its binary mixtures with water and nitromethane. The observed 113Cd-NMR chemical shift changes at a constant Cd2+ ion concentration and varying crown concentrations were found to be consistent with a fast exchange model. The formation constants of the resulting 1:1 complexes were evaluated from computer fitting of the chemical shift-mole ration data to an equation which relates the observed chemical shifts to the formation constant. The geometries of the macrocyclic ligands and their cadmium complexes were optimized by an ab initio method, and the calculated binding energies of the resulting complexes were compared. Both the 113Cd-NMR and ab initio studies revealed that, in all cases, 15-crown-5 forms a more stable Cd2+ complex than benzo-15-crown-5. In the case of the both crown ethers, there is an inverse relationship between the stability of complexes and solvating ability of the solvent systems used.
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Talebpour, Z., Alizadeh, N., Bijanzadeh, H.R. et al. Cadmium-113 NMR and Theoretical Studies of Complexation of Cadmium Ion with 15-Crown-5 and Benzo-15-Crown-5 in Acetonitrile and Its Binary Mixtures with Water and Nitromethane. Journal of Inclusion Phenomena 49, 101–106 (2004). https://doi.org/10.1023/B:JIPH.0000031121.36121.52
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DOI: https://doi.org/10.1023/B:JIPH.0000031121.36121.52