Figure 5.
DFT optimised structure of LiBr bound rotaxane 10. H atoms are omitted for clarity. Colour code of atoms: O‐red, N‐blue, I‐purple, Li‐pink, Br‐ brown, C(axle) ‐gray C(MC)‐teal. Non‐covalent host‐guest interactions are shown in yellow.
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