Mechanistic Studies of CO2 Cycloaddition Reaction Catalyzed by Amine-Functionalized Ionic Liquids

Jian Chen, Han Gao, Tong Ding, Liangzheng Ji, John Zhang, Guohua Gao, Fei Xia

Research output: Contribution to journalArticle

Abstract

The homogeneous cycloaddition reaction of CO2 and epichlorohydrin catalyzed by amine-functionalized ionic liquid (AFIL) to yield cyclic carbonate is reported in this study. The AFIL has the dual function of ionic liquid and organic base. The experimental study indicates that AFIL can efficiently catalyze the conversion of CO2 and epichlorohydrin to the product 3-chloro-1,2-propylene. The mechanistic study based on DFT calculations reveals that the imidazolium ring in AFIL primarily catalyzes the ring-opening reaction of epichlorohydrin, while the protonated amine group is responsible for stabilizing the Br anion in the nucleophilic attack. This study provides a deep insight into the catalytic roles of AFIL and also inspires us to design efficient dual function catalysts for CO2 utilization.

Original languageEnglish (US)
Article number615
JournalFrontiers in Chemistry
Volume7
DOIs
StatePublished - Sep 10 2019

Fingerprint

Ionic Liquids
Cycloaddition
Amines
Epichlorohydrin
Carbonates
Discrete Fourier transforms
Anions
Catalysts

Keywords

  • amine-functionalized ionic liquids
  • CO conversion
  • cyclic carbonates
  • DFT calculations
  • mechanism

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Mechanistic Studies of CO2 Cycloaddition Reaction Catalyzed by Amine-Functionalized Ionic Liquids. / Chen, Jian; Gao, Han; Ding, Tong; Ji, Liangzheng; Zhang, John; Gao, Guohua; Xia, Fei.

In: Frontiers in Chemistry, Vol. 7, 615, 10.09.2019.

Research output: Contribution to journalArticle

Chen, Jian ; Gao, Han ; Ding, Tong ; Ji, Liangzheng ; Zhang, John ; Gao, Guohua ; Xia, Fei. / Mechanistic Studies of CO2 Cycloaddition Reaction Catalyzed by Amine-Functionalized Ionic Liquids. In: Frontiers in Chemistry. 2019 ; Vol. 7.
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