A flexible self-folding receptor for coronene.

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.

SUBMITTER: Lozano D 

PROVIDER: S-EPMC6984329 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature