ICCAS OpenIR
Relationship Between Catalytic Activity and Metal Atom Net Charge of Iron Complex Bearing 2-Imino-1,10-phenanthrolinyl Ligand
Duan Bao-Gen1; Kong Bin1; Sun Wen-Hua2; Yang Xiao-Zhen1
2010-02-10
Source PublicationCHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
ISSN0251-0790
Volume31Issue:2Pages:343-347
AbstractThe metal atom net charge correlation(MANCC) method was used to study catalytic activities of a series of asymmetric iron complexes bearing 2-imino-1, 10-Phenanthroliyl ligands for ethylene oligomerization. If the catalytic activity is influenced mostly by electronic effect, it has a good correlation to the metal atom net charge. In general, catalytic activities of iron complexes bearing electron-donating alkyl groups increase with the net charges increasing. On the contrary, with the net charges increasing, catalytic activities decrease while the complexes contain electron-withdrawing halogen groups. Based on the above results, we speculated that two different activated centers probably existed in ethylene oligomerization which are [LFe-R](+) and [LFe-R](+2) ([Fe(Cl)RL](+)). When both the electronic and steric effects of coordinative ligand affect the catalytic activity, the charge difference on the two halogen atoms was correlated with it. And it is found that the cataly-tic activity is improved corresponding to the smaller charge difference.
KeywordMolecular Mechanics Charge Equilibration Ethylene Oligomerization Catalytic Activity
Indexed BySCI
Language英语
WOS IDWOS:000275476600025
PublisherHIGHER EDUCATION PRESS
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/69196
Collection中国科学院化学研究所
Corresponding AuthorYang Xiao-Zhen
Affiliation1.Chinese Acad Sci, State Key Lab Polymer Phys & Chem, Beijing Natl Lab Mol Sci, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Chem, Key Lab Engn Plast, Beijing 100190, Peoples R China
Recommended Citation
GB/T 7714
Duan Bao-Gen,Kong Bin,Sun Wen-Hua,et al. Relationship Between Catalytic Activity and Metal Atom Net Charge of Iron Complex Bearing 2-Imino-1,10-phenanthrolinyl Ligand[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2010,31(2):343-347.
APA Duan Bao-Gen,Kong Bin,Sun Wen-Hua,&Yang Xiao-Zhen.(2010).Relationship Between Catalytic Activity and Metal Atom Net Charge of Iron Complex Bearing 2-Imino-1,10-phenanthrolinyl Ligand.CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,31(2),343-347.
MLA Duan Bao-Gen,et al."Relationship Between Catalytic Activity and Metal Atom Net Charge of Iron Complex Bearing 2-Imino-1,10-phenanthrolinyl Ligand".CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE 31.2(2010):343-347.
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