Influence of electronic effect on catalytic activity of salicylaldiminato nickel(II) complexes

doi:10.1002/pola.20242

CORC > 化学研究所 > 中国科学院化学研究所

	Influence of electronic effect on catalytic activity of salicylaldiminato nickel(II) complexes
	Zhang, TZ ; Guo, DW ; Jie, SY ; Sun, WH ; Li, T ; Yang, XZ
刊名	JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY
	2004-10-01
卷号	42 期号:19 页码:4765-4774
关键词	Quantum Mechanics Molecular Mechanics Charge Equilibration Salicylaldiminato Ni (Ii) Complexes Polymerization Activity
ISSN号	0887-624X
DOI	10.1002/pola.20242
英文摘要	A 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.
语种	英语
出版者	JOHN WILEY & SONS INC
WOS记录号	WOS:000223922700004
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/81797]
专题	中国科学院化学研究所
通讯作者	Yang, XZ
作者单位	1.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
推荐引用方式 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.