Efficient synthesis of cyclic carbonates from CO2under 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 CO₂under 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^*

^*Corresponding author for this work

CAS - Institute of Chemistry
University of Chinese Academy of Sciences
Huairou National Comprehensive Science Center
East China Normal University

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

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.

Original language	English
Pages (from-to)	4298-4304
Number of pages	7
Journal	Physical Chemistry Chemical Physics
Volume	24
Issue number	7
DOIs	https://doi.org/10.1039/d1cp05553d
State	Published - Feb 2022
Externally published	Yes

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title = "Efficient synthesis of cyclic carbonates from CO2under ambient conditions over Zn(betaine)2Br2: Experimental and theoretical studies",

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.",

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T1 - Efficient synthesis of cyclic carbonates from CO2under ambient conditions over Zn(betaine)2Br2

T2 - Experimental and theoretical studies

AU - Ma, Jun

AU - Wu, Yahui

AU - Yan, Xupeng

AU - Chen, Chunjun

AU - Wu, Tianbin

AU - Fan, Honglei

AU - Liu, Zhimin

AU - Han, Buxing

PY - 2022/2

Y1 - 2022/2

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/85124804047

U2 - 10.1039/d1cp05553d

DO - 10.1039/d1cp05553d

M3 - 文章

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AN - SCOPUS:85124804047

SN - 1463-9076

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EP - 4304

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

IS - 7

ER -

Efficient synthesis of cyclic carbonates from CO₂under ambient conditions over Zn(betaine)₂Br₂: Experimental and theoretical studies

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