ICCAS OpenIR
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
1998-12-01
Source PublicationACTA POLYMERICA SINICA
ISSN1000-3304
Issue6Pages:725-729
AbstractA 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.
KeywordCopolymer-rh Complex Ased-mo Method Oxidative Addition
Indexed BySCI
Language英语
WOS IDWOS:000077972700015
PublisherSCIENCE PRESS
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Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/74524
Collection中国科学院化学研究所
Corresponding AuthorLi, L
Affiliation1.Beijing Univ Chem Technol, Beijing 100029, Peoples R China
2.Chinese Acad Sci, Inst Chem, Beijing 100080, Peoples R China
Recommended Citation
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.
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