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

In this thesis, findings of three major projects are described, and related raw and processed data are enclosed in this dataset.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.Post-modification of a series of bipyridine-based [2]catenanes were studied to obtain tetra-N-oxides for the enhanced and selective binding of alkali metal cations (Chapter 3). NMR and MS data were collected to support the findings.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.