A Ring of Rotaxanes: Studies of a Large Paramagnetic Assembly in Solution

15 May 2023, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


NMR spectroscopy is the standard method for establishing chemical structure in solution but relies on the compound being diamagnetic. When a compound is paramagnetic, NMR resonances are broad-ened and structural information lost. Other methods such as diffuse light scattering can establish the size of a compound but gives little structural information. Here we report the synthesis and structural characterization of four [7]rotaxanes which form by coordinating hybrid inorganic-organic [2]rotaxanes to a central {Ni12} core. Small angle X-ray scattering supported by molecular dynamic simulations demonstrates that the large molecules are stable in solution and also provides structural information about the conformers present.


EPR spectroscopy


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