We report a conformationally flexible deep cavitand receptor based on calix[5]arene and stabilized by a cooperative network of hydrogen bonds. The receptor binds coronene selectively over smaller polycyclic aromatic hydrocarbons, but is flexible enough to adapt to a smaller guest that presents a complementary electron deficient surface. The unique dynamic properties of this system have been thoroughly studied by NMR spectroscopy and molecular dynamics (MD) simulations.
D. Lozano, R. Álvarez-Yebra, R. López-Coll and A. Lledó, Chem. Sci., 2019, 10, 10351 DOI: 10.1039/C9SC03158H
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