ヘテロアレンとキュルビチューリルポータルの間の魅力的な相互作用

Ofer Reany¹, Amanda Li², Maayan Yefet³

¹The Avinoam Adam Department of Natural Sciences, The Open University of Israel , 1 University Road, Ra'anana 43537, Israel.

Journal of the American Chemical Society

|May 24, 2017

まとめ

オーガニック・アジドは,静電学によって誘発されるクキュルビチューリルと強い誘発相互作用を示す. この発見は独特の宿主-ゲスト化学を用いた超分子構造の設計に新たな可能性をもたらします

科学分野:

超分子化学
有機化学
コンピュータ化学

背景:

キュルビチューリルはマクロサイクルの宿主であり,宿主と結合する能力で知られている.
有機アジドは,分子相互作用の可能性のある多用途な機能群である.

研究の目的:

オーガニック・アジドとキュルビチューリルの魅力的な相互作用を調査する.
この相互作用の性質とメカニズムを解明する.
超分子化学の潜在的応用を探求する

主な方法:

同型ビスアジドエチルアモニウムアルカンの合成
スペクトル検査 (NMR,IR)
X線結晶検査です
量子化学計算分析について

主要な成果:

アジド群 (β - 窒素) とクキュルビチューリルのカルボニルとの間に強い特異的な静電相互作用が観察されました.
この相互作用は主に直角二極二極力によって引き起こされ,n → π* 移位によって引き起こされない.
この相互作用は,イソシアネートおよびイソチオシアネートなどの他のイソ電子ヘテロアレン機能に一般化できる.

結論:

この研究は,有機アジドとキュルビチューリルの間に,以前は十分に利用されていない,有意義な相互作用を明らかにした.
この相互作用は静電学によって駆動され,超分子化学のために利用できます.
この発見は,新しい超分子構造とホスト-ゲストシステムの設計に道を開きます.

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