Hydroxyl-Functionalized Ionic Liquid Promoted CO2 Fixation According to Electrostatic Attraction and Hydrogen Bonding Interaction
文献类型：期刊论文
| 作者 | Wang, Li1; Jin, Xiangfeng1; Li, Ping1; Zhang, Jinglai1; He, Hongyan2; Zhang, Suojiang2 |
| 刊名 | INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
 |
| 出版日期 | 2014-05-21 |
| 卷号 | 53期号:20页码:8426-8435 |
| 关键词 | SUPERCRITICAL CARBON-DIOXIDE PROPYLENE-OXIDE CHEMICAL FIXATION CYCLIC CARBONATES HETEROGENEOUS CATALYST ORGANIC CARBONATES CORRELATION-ENERGY COUPLING REACTIONS EPOXIDES CYCLOADDITION |
| ISSN号 | 0888-5885 |
| 其他题名 | Ind. Eng. Chem. Res. |
| 中文摘要 | The mechanism of cycloaddition reaction between carbon dioxide and epoxide, catalyzed by HEMIMC (1-(2-hydroxyl-ethyl)-3-methylimidazolium chloride), was investigated using the DFT (density functional theory) method. In the presence of HEMIMC, the reaction mechanism changed from single-step to multipath. Seven reaction pathways are reported here, including two steps, epoxide ring-opening and ring-closure of cyclic carbonate, or three main steps, epoxide ring-opening, carbon dioxide insertion, and ring-closure of cyclic carbonate. The catalytic activity of HEMIMC was studied, and the catalytic mechanism was elucidated. The nucleophilic attack of anion and hydrogen bond are two of the most important factors to promote the cycloaddition reaction, especially the OH functional group in HEMIMC. Finally, the influence of different anions on the catalytic activity was investigated. |
| 英文摘要 | The mechanism of cycloaddition reaction between carbon dioxide and epoxide, catalyzed by HEMIMC (1-(2-hydroxyl-ethyl)-3-methylimidazolium chloride), was investigated using the DFT (density functional theory) method. In the presence of HEMIMC, the reaction mechanism changed from single-step to multipath. Seven reaction pathways are reported here, including two steps, epoxide ring-opening and ring-closure of cyclic carbonate, or three main steps, epoxide ring-opening, carbon dioxide insertion, and ring-closure of cyclic carbonate. The catalytic activity of HEMIMC was studied, and the catalytic mechanism was elucidated. The nucleophilic attack of anion and hydrogen bond are two of the most important factors to promote the cycloaddition reaction, especially the OH functional group in HEMIMC. Finally, the influence of different anions on the catalytic activity was investigated. |
| WOS标题词 | Science & Technology ; Technology |
| 类目[WOS] | Engineering, Chemical |
| 研究领域[WOS] | Engineering |
| 关键词[WOS] | SUPERCRITICAL CARBON-DIOXIDE ; PROPYLENE-OXIDE ; CHEMICAL FIXATION ; CYCLIC CARBONATES ; HETEROGENEOUS CATALYST ; ORGANIC CARBONATES ; CORRELATION-ENERGY ; COUPLING REACTIONS ; EPOXIDES ; CYCLOADDITION |
| 收录类别 | SCI |
| 原文出处 | |
| 语种 | 英语 |
| WOS记录号 | WOS:000336417700013 |
| 公开日期 | 2014-08-28 |
| 版本 | 出版稿 |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/10976]  |
| 专题 | 过程工程研究所_研究所（批量导入） |
| 作者单位 | 1.Henan Univ, Inst Environm & Analyt Sci, Coll Chem & Chem Engn, Kaifeng 475004, Henan, Peoples R China 2.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, State Key Lab Multiphase Complex Syst, Inst Proc Engn, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Li,Jin, Xiangfeng,Li, Ping,et al. Hydroxyl-Functionalized Ionic Liquid Promoted CO2 Fixation According to Electrostatic Attraction and Hydrogen Bonding Interaction[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2014,53(20):8426-8435. |
| APA | Wang, Li,Jin, Xiangfeng,Li, Ping,Zhang, Jinglai,He, Hongyan,&Zhang, Suojiang.(2014).Hydroxyl-Functionalized Ionic Liquid Promoted CO2 Fixation According to Electrostatic Attraction and Hydrogen Bonding Interaction.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,53(20),8426-8435. |
| MLA | Wang, Li,et al."Hydroxyl-Functionalized Ionic Liquid Promoted CO2 Fixation According to Electrostatic Attraction and Hydrogen Bonding Interaction".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 53.20(2014):8426-8435. |
入库方式： OAI收割
来源：过程工程研究所
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