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A flexible self-folding receptor for coronene

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Abstract

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.

Graphical abstract: A flexible self-folding receptor for coronene

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Publication details

The article was received on 26 Jun 2019, accepted on 23 Sep 2019 and first published on 23 Sep 2019


Article type: Edge Article
DOI: 10.1039/C9SC03158H
Chem. Sci., 2019, Advance Article
  • Open access: Creative Commons BY-NC license
    All publication charges for this article have been paid for by the Royal Society of Chemistry

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    A flexible self-folding receptor for coronene

    D. Lozano, R. Álvarez-Yebra, R. López-Coll and A. Lledó, Chem. Sci., 2019, Advance Article , DOI: 10.1039/C9SC03158H

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