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Clamshell Opening in the Mixed-Metal Supramolecular Aggregates Formed by Fourfold Reduced Corannulene for Maximizing Intercalated Metal Content


  • Financial support of this work from the National Science Foundation Award (CHE-1212441) is gratefully acknowledged. The authors thank Dr. A. A. Granovsky and the Firefly team for providing a developing version of the Firefly program package. S.N.S. also thanks the International Centre for Diffraction Data (ICDD) for the 2012 and 2013 Ludo Frevel Crystallography Scholarship.


The first members of a new class of supramolecular organometallic compounds with mixed-alkali-metal cluster cores, LiK5 and Li3K3, sandwiched between two four-fold reduced corannulene decks are prepared and fully characterized. The triple-decker supramolecular anions, [(C20H104−)(LiK5)6+(C20H104−)]2− and [(C20H104−)(Li3K3)6+(C20H104−)]2−, illustrate a record ability of bowl-shaped and highly charged corannulene to provide all its sites, five benzene rings fused to a central five-membered ring, for binding of six alkali-metal ions. The previously unseen engagement of the hub-site of C20H104− in lithium binding is accompanied by unprecedented shifts up to −24 ppm in 7Li NMR spectra. The discussion of product formation mechanism, augmented by calculations, is provided.

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