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Regulation of Novel Multi-Center Ionic Liquids for Synergetically Catalyzing CO2 Conversion into Cyclic Carbonates

  • Chang, Jie
  • Liu, Yitao
  • Su, Qian
  • Liu, Lei
  • Deng, Lili
  • Ying, Ting
  • Dong, Li
  • Luo, Zhibin
  • Li, Qian
  • Cheng, Weiguo
Publication Date
Jul 07, 2021
Institutional Repository of Institute of Process Engineering, CAS (IPE-IR)
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A family of novel multi-center ionic liquids (ILs) were designed for the target of efficient transformation of CO2 into cyclic carbonates. The multi-center structures could expose more active sites than single-center ones in cycloaddition reaction. Among these ILs, with the chain-regulation strategy, the multi-center hexabutylimidazole bromobenzene (BIM-6) exhibited the performance with 95 % propylene epoxide (PO) conversion and 99 % selectivity (130 degrees C, 2.5 MPa, ILs amount 0.15 mol%, 1 h). Moreover, the multi-center ILs showed good reusability after 5 cycles and extensive suitability for different terminal epoxides. Density functional theory (DFT) and noncovalent interactions (NCI) illustrated that hydrogen-bond formed between the multi-center ILs and epoxides, together with hindrance of side chain lengths setting bromide free, synergistically activated reactants. Thus, the possible mechanism based on hydrogen-bond induction and hindrance regulation was proposed. This study provides a new approach for development of highly efficient ILs in the green chemical process.

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