Supporting data for Exploiting Mechanical Interlocking in Catenanes for Host–Guest Chemistry: New Synthetic Strategies and Ion-Binding Applications

<p dir="ltr">In this thesis, findings of three major projects are described, and related raw and processed data are enclosed in this dataset.</p><ol><li>A new demetallation method using ethylenediamine was developed to extract the copper(I) ion from bis(phenanthroline)/(bipyridine)-based [2]catenanes (Chapter 2). NMR, MS and UV-Vis data were collected to support the findings.</li><li>Post-modification of a series of bipyridine-based [2]catenanes were studied to obtain tetra-<i>N</i>-oxides for the enhanced and selective binding of alkali metal cations (Chapter 3). NMR and MS data were collected to support the findings.</li><li>A tetra-urea [2]catenane was synthesized by copper(I)-templated dynamic urea bond formation, which displays a strong and selective sulfate binding that results in a mechanical helical chirality. Synthesis and binding propeties of other derived urea-containing [2]catenanes were also studied, including a tetraphenylethylene-based tetra-urea [2]catenane that produces responsive fluorescent changes upon ion binding, and a phenanthroline-based bis-urea [2]catenane for the simultaneous binding of copper(I) ion and halide/oxyanion pairs (Chapter 4). NMR, MS, UV-Vis, fluorescence spectroscopic and X-ray crystallographic data were collected to support the findings.</li></ol><p></p>