Tight Xenon Confinement in a Crystalline Sandwich‐like Hydrogen‐Bonded Dimeric Capsule of a Cyclic Peptide

Abstract

Ac yclic hexapeptide with three pyridyl moieties connected to its backbone forms ah ydrogen-bonded dimer, which tightly encapsulates asingle xenon atom, like apearl in its shell. The dimer imprints its shape and symmetry to the captured xenon atom, as demonstrated by 129 Xe NMR spectroscopy, single-crystal X-rayd iffraction, and computational studies.T he dimers self-assemble hierarchically into tubular structures to form aporous supramolecular architecture,whose cavities are filled by small molecules and gases.