ICCAS OpenIR
Influence of electronic effect on catalytic activity of salicylaldiminato nickel(II) complexes
Zhang, TZ; Guo, DW; Jie, SY; Sun, WH; Li, T; Yang, XZ
2004-10-01
Source PublicationJOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
ISSN0887-624X
Volume42Issue:19Pages:4765-4774
AbstractA means of correlation between the activity and the net charge, the metal atom net charge correlation (MANCC), which was successful in the activity prediction of the early-transition metal catalysts, has been used to study the catalytic activities of salicylaldiminato Ni(II) complexes, the late-transition metal catalysts, in olefin polymerization or oligomerization. A comparison with the available quantum mechanics/ molecular mechanics (QM/MM) calculation data suggests that even without a detailed mechanism, MANCC results mostly agree with QM/MM calculation data regarding insertion barrier data and enthalpy change. Eight experimental complexes were further built up by modeling; their catalytic activities predominantly increased in line with the net charges on the metal atoms. The same results were obtained for the other four complexes synthesized in the present work. (C) 2004 Wiley Periodicals, Inc.
KeywordQuantum Mechanics Molecular Mechanics Charge Equilibration Salicylaldiminato Ni (Ii) Complexes Polymerization Activity
DOI10.1002/pola.20242
Indexed BySCI
Language英语
WOS IDWOS:000223922700004
PublisherJOHN WILEY & SONS INC
Citation statistics
Cited Times:66[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/81798
Collection中国科学院化学研究所
Corresponding AuthorYang, XZ
Affiliation1.Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100080, Peoples R China
2.Chinese Acad Sci, Ctr Mol Sci, State Key Lab Polymer Phys & Chem, Beijing 100080, Peoples R China
3.Chinese Acad Sci, Inst Chem, Joint Lab Polymer Sci & Mat, CAS Key Lab Engn Plast, Beijing 100080, Peoples R China
Recommended Citation
GB/T 7714
Zhang, TZ,Guo, DW,Jie, SY,et al. Influence of electronic effect on catalytic activity of salicylaldiminato nickel(II) complexes[J]. JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,2004,42(19):4765-4774.
APA Zhang, TZ,Guo, DW,Jie, SY,Sun, WH,Li, T,&Yang, XZ.(2004).Influence of electronic effect on catalytic activity of salicylaldiminato nickel(II) complexes.JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY,42(19),4765-4774.
MLA Zhang, TZ,et al."Influence of electronic effect on catalytic activity of salicylaldiminato nickel(II) complexes".JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY 42.19(2004):4765-4774.
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