Supporting data for "Host-Guest Chemistry of Conformationally Flexible Molecular Cages and Catenanes"

Conformational changes are of fundamental importance in many aspects of chemistry. In host-guest chemistry, structurally flexible hosts will be adaptive to accommodate guests of slightly different structures and result in better host-guest complementarity and strong binding affinity. While thermodynamic understanding of conformational change in host-guest system is well studied, kinetic understanding of host-guest binding is relatively limited, although it is critical for understanding the binding mechanism and selectivity. In this work, studies on two conformationally flexible cages and a series of catenanes are described, including their synthesis, kinetics and thermodynamics properties of conformational changes and applications.

The dataset includes Nuclear magnetic resonance data (NMR), Mass spectrometry data (MS), Ultraviolet-visible spectroscopy data (UV-vis), Fluorescence spectroscopy data (FL), Circular dichroism data (CD) and Circularly Polarized Luminescence data (CPL).