THE INFLUENCE OF SUBSTITUENT ELECTRONIC EFFECT ON ETHYLENE OLIGOMERIZATION ACTIVITIES OF BIS(IMINO)PYRIDYL Fe(II) CATALYSTS: A COMBINED MOLECULAR MECHANICS AND CHARGE EQUILIBRATION METHOD
文献类型：期刊论文
| 作者 | Li, Hua-yi; Duan, Bao-gen; Hu, You-liang |
| 刊名 | CHINESE JOURNAL OF POLYMER SCIENCE
 |
| 出版日期 | 2009-09-01 |
| 卷号 | 27期号:5页码:711-717 |
| 关键词 | Ethylene Oligomerization Fe Catalyst Molecular Mechanics (Mm) Net Charge Equilibration (Qeq) |
| ISSN号 | 0256-7679 |
| DOI | 10.1142/S0256767909004412 |
| 英文摘要 | Bis(imino) pyridyl Fe(II) complexes are important catalysts in ethylene oligomerization for preparing alpha-olefins. The metal net charge-activity relationship of bis(imino) pyridyl Fe( II) complexes was investigated by molecular mechanics ( MM) and net charge equilibration (QEq) method with modified Dreiding force field. It was found that metal net charge was in reverse ratio to ethylene oligomerization activity. Electron-donor substituents with less steric hindrance to the central metal were favorable to Fe complex activity. Metal net charge-activity relationship could be used to assist the design of new Fe oligomerization catalysts with higher activity. |
| 语种 | 英语 |
| WOS记录号 | WOS:000269451500013 |
| 出版者 | WORLD SCIENTIFIC PUBL CO PTE LTD |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/66457]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Li, Hua-yi |
| 作者单位 | Chinese Acad Sci, Inst Chem, Key Lab Engn Plast, Joint Lab Polymer Sci & Mat, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Li, Hua-yi,Duan, Bao-gen,Hu, You-liang. THE INFLUENCE OF SUBSTITUENT ELECTRONIC EFFECT ON ETHYLENE OLIGOMERIZATION ACTIVITIES OF BIS(IMINO)PYRIDYL Fe(II) CATALYSTS: A COMBINED MOLECULAR MECHANICS AND CHARGE EQUILIBRATION METHOD[J]. CHINESE JOURNAL OF POLYMER SCIENCE,2009,27(5):711-717. |
| APA | Li, Hua-yi,Duan, Bao-gen,&Hu, You-liang.(2009).THE INFLUENCE OF SUBSTITUENT ELECTRONIC EFFECT ON ETHYLENE OLIGOMERIZATION ACTIVITIES OF BIS(IMINO)PYRIDYL Fe(II) CATALYSTS: A COMBINED MOLECULAR MECHANICS AND CHARGE EQUILIBRATION METHOD.CHINESE JOURNAL OF POLYMER SCIENCE,27(5),711-717. |
| MLA | Li, Hua-yi,et al."THE INFLUENCE OF SUBSTITUENT ELECTRONIC EFFECT ON ETHYLENE OLIGOMERIZATION ACTIVITIES OF BIS(IMINO)PYRIDYL Fe(II) CATALYSTS: A COMBINED MOLECULAR MECHANICS AND CHARGE EQUILIBRATION METHOD".CHINESE JOURNAL OF POLYMER SCIENCE 27.5(2009):711-717. |
入库方式： OAI收割
来源：化学研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。