Double Concave Cesium Encapsulation by Two Charged Sumanenyl Bowls.

Angew Chem Int Ed Engl

Department of Chemistry, University at Albany, State University of New York, 1400 Washington Avenue, Albany, NY, 12222, USA.

Published: March 2017

The controlled reaction of Na and Cs, two alkali metals of different ionic sizes and binding abilities, with sumanene (C H ) affords a novel type of organometallic sandwich [Cs(C H ) ] , which crystallized as a solvent-separated ion pair with a [Na(18-crown-6)(THF) ] cation (where THF=tetrahydrofuran). The unprecedented double concave encapsulation of a metal ion by two bowl-shaped sumanenyl anions in [Cs(C H ) ] was revealed crystallographically. Evaluation of bonding and energetics of the remarkable product was accomplished computationally (B2PLYP-D/TZVP/ZORA), providing insights into its formation.

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http://dx.doi.org/10.1002/anie.201610696DOI Listing

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