Efficient synthesis of cyclic carbonates from CO2 under ambient conditions over Zn(betaine)2Br2: experimental and theoretical studies

Jun Ma; Yahui Wu; Xupeng Yan; Chunjun Chen; Tianbin Wu; Honglei Fan; Zhimin Liu; Buxing Han

doi:10.1039/d1cp05553d

Efficient synthesis of cyclic carbonates from CO₂ under ambient conditions over Zn(betaine)₂Br₂: experimental and theoretical studies

Phys Chem Chem Phys. 2022 Feb 16;24(7):4298-4304. doi: 10.1039/d1cp05553d.

Authors

Jun Ma¹, Yahui Wu^{1

2}, Xupeng Yan^{1

2}, Chunjun Chen¹, Tianbin Wu¹, Honglei Fan¹, Zhimin Liu¹, Buxing Han^{1

2

3

4}

Affiliations

¹ Beijing National Laboratory for Molecular Sciences, CAS Key Laboratory of Colloid and Interface and Thermodynamics, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China. majun@iccas.ac.cn.
² School of Chemistry and Chemical Engineering, University of Chinese Academy of Sciences, Beijing 100049, China.
³ Physical Science Laboratory, Huairou National Comprehensive Science Center, No. 5 Yanqi East Second Street, Beijing 101400, China.
⁴ Shanghai Key Laboratory of Green Chemistry and Chemical Processes, School of Chemistry and Molecular Engineering, East China Normal University, Shanghai 200062, China.

PMID: 35107469
DOI: 10.1039/d1cp05553d

Abstract

It is very interesting to synthesize high value-added chemicals from CO₂ under mild conditions with low energy consumption. Here, we report that a novel catalyst, Zn(betaine)₂Br₂, can efficiently promote the cycloaddition of CO₂ with epoxides to synthesize cyclic carbonates under ambient conditions (30 °C, 1 atm). DFT calculations provide important insights into the mechanism, particularly the unusual synergistic catalytic action of Zn²⁺, Br^- and NR⁴⁺, which is the critical factor for the outstanding performance of Zn(betaine)₂Br₂. The unique features of the catalyst are that it is cheap, green and very easy to prepare.