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Adaptive Se-Te Metathesis Controlled by Cucurbituril-Based Host-Guest Interaction.

Cheng LiuZhiheng ZhangZhiyuan FanChaowei HeYizheng TanHuaping Xu
Published in: Chemistry, an Asian journal (2020)
Regulating the reactivity and equilibrium of a dynamic reaction is essential for adaptive chemistry and functional materials. Herein, cucurbituril-based host-guest interaction was embedded into the dynamic metathesis between diselenide and ditelluride to establish an equilibrium-adaptive system. In this system, cucurbit[6]uril (CB[6]) selectively bound with diselenide while cucurbit[7]uril (CB[7]) bound with not only diselenide but also ditelluride and exchange product. The dynamic nature of diselenide bond was locked after forming the inclusion complex with CB[6]. Based on this selective locking effect, the Se-Te products were reversed back to diselenide and ditelluride reactants, which was an equilibrium regulating process. Therefore, by combining CB[6]-based host-guest interaction and dynamic diselenide chemistry, the reactivity of diselenide bond and the equilibrium of Se-Te metathesis was successfully regulated.
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations