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- Title
Double Concave Cesium Encapsulation by Two Charged Sumanenyl Bowls.
- Authors
Spisak, Sarah N.; Wei, Zheng; Rogachev, Andrey Yu.; Amaya, Toru; Hirao, Toshikazu; Petrukhina, Marina A.
- Abstract
The controlled reaction of Na and Cs, two alkali metals of different ionic sizes and binding abilities, with sumanene (C21H12) affords a novel type of organometallic sandwich [Cs(C21H11−)2]−, which crystallized as a solvent-separated ion pair with a [Na(18-crown-6)(THF)2]+ cation (where THF=tetrahydrofuran). The unprecedented double concave encapsulation of a metal ion by two bowl-shaped sumanenyl anions in [Cs(C21H11−)2]− was revealed crystallographically. Evaluation of bonding and energetics of the remarkable product was accomplished computationally (B2PLYP-D/TZVP/ZORA), providing insights into its formation.
- Subjects
CESIUM; ENCAPSULATION (Catalysis); ALKALI metals; ORGANOMETALLIC chemistry; TETRAHYDROFURAN; METAL ions
- Publication
Angewandte Chemie, 2017, Vol 129, Issue 10, p2626
- ISSN
0044-8249
- Publication type
Article
- DOI
10.1002/ange.201610696