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The dynamic behavior of fatty acids in the hydrophobic cavity of a macrocycle was investigated. Helical coiling of two fatty acids was compared through NMR titration experiments. As a further study, we measured the binding constants between the PdII self-assembled macrocycle and various fatty derivatives using NMR titration or isothermal titration calorimetry. The guests have different lengths (C4 to C8) or are partially/fully fluororated. In addition we confirmed the solid state structure of the PdII self-assembled macrocycle by X-ray crystallography after counteranion-exchanging from NO2- to PF6-. The Solid state structure matches well with NMR interpretation and Gaussian calculation.
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KCS