Theoretical study of the reaction rate control step on the carbonylation of methanol to acetic acid catalyzed by copolymercoordinated rhodium

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	Theoretical study of the reaction rate control step on the carbonylation of methanol to acetic acid catalyzed by copolymercoordinated rhodium
	Li, L ; Wang, ZX ; Wang, XJ ; Yuan, GQ
刊名	ACTA POLYMERICA SINICA
	1998-12-01
期号	6 页码:725-729
关键词	Copolymer-rh Complex Ased-mo Method Oxidative Addition
ISSN号	1000-3304
英文摘要	A theoritical study of the reaction rate control step on the carbonlation of methanol to acetic acid catalyzed by copolymercoordinated rhodium has been investigated in terms of the ASED-MO method (including atomic repellent energy). The energy barriers of oxidative addition reactions for different systems were calculated. The way of electron transfer and space factor influencing the activation energies during oxidative addition were studied. It showed that the calculating results were bassically in agreement with the experimental results. The differences of catalysis activity between 2-vinylpridine system and 4-vinylpridine system were explained theoretically.
语种	英语
出版者	SCIENCE PRESS
WOS记录号	WOS:000077972700015
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/74523]
专题	中国科学院化学研究所
通讯作者	Li, L
作者单位	1.Beijing Univ Chem Technol, Beijing 100029, Peoples R China 2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Li, L,Wang, ZX,Wang, XJ,et al. Theoretical study of the reaction rate control step on the carbonylation of methanol to acetic acid catalyzed by copolymercoordinated rhodium[J]. ACTA POLYMERICA SINICA,1998(6):725-729.
APA	Li, L,Wang, ZX,Wang, XJ,&Yuan, GQ.(1998).Theoretical study of the reaction rate control step on the carbonylation of methanol to acetic acid catalyzed by copolymercoordinated rhodium.ACTA POLYMERICA SINICA(6),725-729.
MLA	Li, L,et al."Theoretical study of the reaction rate control step on the carbonylation of methanol to acetic acid catalyzed by copolymercoordinated rhodium".ACTA POLYMERICA SINICA .6(1998):725-729.