ICCAS OpenIR
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
Li, Hua-yi; Duan, Bao-gen; Hu, You-liang
2009-09-01
Source PublicationCHINESE JOURNAL OF POLYMER SCIENCE
ISSN0256-7679
Volume27Issue:5Pages:711-717
AbstractBis(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.
KeywordEthylene Oligomerization Fe Catalyst Molecular Mechanics (Mm) Net Charge Equilibration (Qeq)
DOI10.1142/S0256767909004412
Indexed BySCI
Language英语
WOS IDWOS:000269451500013
PublisherWORLD SCIENTIFIC PUBL CO PTE LTD
Citation statistics
Cited Times:2[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/66458
Collection中国科学院化学研究所
Corresponding AuthorLi, Hua-yi
AffiliationChinese Acad Sci, Inst Chem, Key Lab Engn Plast, Joint Lab Polymer Sci & Mat, Beijing 100190, Peoples R China
Recommended Citation
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.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Li, Hua-yi]'s Articles
[Duan, Bao-gen]'s Articles
[Hu, You-liang]'s Articles
Baidu academic
Similar articles in Baidu academic
[Li, Hua-yi]'s Articles
[Duan, Bao-gen]'s Articles
[Hu, You-liang]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Li, Hua-yi]'s Articles
[Duan, Bao-gen]'s Articles
[Hu, You-liang]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.