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analogue due to thesteric hinderance of benzene rings. When one compares the relative binding efficiencies ofthe complexes for the two different alkali metal ions in Table1, the sodium ion has much better (~10-50 kcal/mol)complexation efficiency than potassium ion in all four kindsof complexation mode with host

DFT Study for Azobenzene Crown Ether p-tert-Butylcalix[4]arene Complexed with Alkali Metal Ion