ja0c03349_si_008.cif (3.89 MB)

An S10-Symmetric 5‑Fold Interlocked [2]Catenane

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posted on 01.06.2020, 16:09 by Tanya K. Ronson, Yujia Wang, Kim Baldridge, Jay S. Siegel, Jonathan R. Nitschke
The reaction of sym-pentakis­(4-aminothiophenyl)­corannulene with 2-formyl-6-methylpyridine and CuI or 2-formyl-1,10-phenanthroline and MII (M = Co, Zn) yields an S10-symmetric 5-fold interlocked [2]­catenane of two interpenetrating [CuI5L2]5+ cages or D5-symmetric [MII5L2]10+ cages, respectively. The new structures were characterized by X-ray crystallography, NMR spectroscopy, and mass spectrometry. Density functional theory computations point to dispersive energies on par with traditional covalent bond energies. Subcomponent exchange reactions favored formation of the [CoII5L2]10+ cage over the [CuI10L4]10+ catenane. The single cage and catenane each cocrystallized with a corannulene guest to form a bowl-in-bowl substructure.