Wide‐Ranging Host Capability of a PdII‐Linked M₂L₄ Molecular Capsule with an Anthracene Shell

This article reports that an M2L4 molecular capsule is capable of encapsulating various neutral molecules in quantitative yields. The capsule was obtained as a single product by mixing a small number of components; two Pd(II) ions and four bent bispyridine ligands containing two anthracene panels. Detailed studies of the host capability of the Pd(II)-linked capsule revealed that spherical (e.g., paracyclophane, adamantanes, and fullerene C60), planar (e.g., pyrenes and triphenylene), and bowl-shaped molecules (e.g., corannulene) were encapsulated in the large spherical cavity, giving rise to 1:1 and 1:2 host-guest complexes, respectively. The volume of the encapsulated guest molecules ranged from 190 to 490 Å(3). Within the capsule, the planar guests adopt a stacked-dimer structure and the bowl-shaped guests formed an unprecedented concave-to-concave capsular structure, which are fully shielded by the anthracene shell. Competitive binding experiments of the capsule with a set of the planar guests established a preferential binding series for pyrenes≈phenanthrene>triphenylene. Furthermore, the capsule showed the selective formation of an unusual ternary complex in the case of triphenylene and corannulene.