Crown Ether Assisted Convex Cesium Binding to a Sumanenyl Bowl,Organometallics

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Crown Ether Assisted Convex Cesium Binding to a Sumanenyl Bowl
Organometallics ( IF 2.5 ) Pub Date : 2017-12-13 00:00:00 , DOI: 10.1021/acs.organomet.7b00782
Sarah N. Spisak ₁ , Jingbai Li ₂ , Andrey Yu. Rogachev ₂ , Zheng Wei ₁ , Toru Amaya ₃ , Toshikazu Hirao ₄ , Marina A. Petrukhina ₁

Affiliation

The first convex cesium-bound complex with a bowl-shaped carbanion, namely [{Cs⁺(dc-18-crown-6)}(C₂₁H₁₁^–)] (1), has been isolated and crystallographically characterized. In the structure of 1, the cesium ion capped by dicyclohexano-18-crown-6 ether coordinates to the deprotonated five-membered ring of a sumanenyl bowl in an exo fashion with the Cs···C distances ranging from 3.315(5) to 3.609(6) Å. Theoretical modeling, including a topological QTAIM approach, reveals the cumulative effect of multiple weak CH···π interactions between the cationic {Cs⁺(dc-18-crown-6)} moiety and the convex surface of the C₂₁H₁₁^– anion, explaining the formation and stability of the product.

中文翻译：

冠醚辅助将凸铯结合到Sumanenyl碗上

分离出具有碗形碳负离子的第一个凸铯结合的络合物，即[{Cs ⁺（dc-18-crown-6）}（C ₂₁ H ₁₁^–）]（1），并进行了晶体学表征。在1的结构中，被二环己酮-18-冠-6醚封端的铯离子以exo方式配位于sum基碗的去质子化的五元环，Cs···C距离为3.315（5）至3.609（6）Å。理论模型（包括拓扑QTAIM方法）揭示了阳离子{Cs ⁺（dc-18-crown-6）}部分与C ₂₁ H ₁₁^–的凸表面之间多个弱CH···π相互作用的累积效应。阴离子，说明产品的形成和稳定性。

更新日期：2017-12-15

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