DOI: 10.1016/j.jcou.2016.06.007
Scopus记录号: 2-s2.0-84978483976
论文题名: On the mechanism of CO2 electro-cycloaddition to propylene oxides
作者: Gallardo-Fuentes S. ; Contreras R. ; Isaacs M. ; Honores J. ; Quezada D. ; Landaeta E. ; Ormazábal-Toledo R.
刊名: Journal of CO2 Utilization
ISSN: 22129820
出版年: 2016
卷: 16 起始页码: 114
结束页码: 120
语种: 英语
英文关键词: CO2 recovery
; Density functional calculations
; Electro-cycloaddition
; Ionic liquids
; Reaction mechanism
Scopus关键词: Density functional theory
; Density of liquids
; Ionic liquids
; Propylene
; Quantum theory
; Cyclic carbonates
; Electro synthesis
; Lewis acid catalysts
; Propylene oxide
; Quantum mechanical
; Reaction mechanism
; Reaction yields
; Systematic study
; Carbon dioxide
英文摘要: We herein present a systematic study on the mechanism of CO2 electro-cycloaddition to propylene oxide, using both experimental and theoretical procedures. The study considers the analysis of mild and sustainable conditions to obtain cyclic carbonates from CO2 recycling. Within the electrochemical approach, the application of an overpotential in the reaction enhances the reaction yield significantly with respect to the thermal pathway. The quantum-mechanical approach provides relevant information about the reaction mechanism. Specifically, the use of the Lewis acid catalyst Mg2+ in the presence of the [C4C1Im][Br] ionic liquid provides the best condition for the electro-synthesis. The theoretical predictions were confirmed by a new set of experiments. © 2016 Elsevier Ltd. All rights reserved. 资助项目: Comisión Nacional de Investigación Científica y Tecnológica
; Comisión Nacional de Investigación Científica y Tecnológica
; Comisión Nacional de Investigación Científica y Tecnológica
; Comisión Nacional de Investigación Científica y Tecnológica
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/52848
Appears in Collections: 影响、适应和脆弱性