Theoretical study of the reaction rate control step on the carbonylation of methanol to acetic acid catalyzed by copolymercoordinated rhodium
文献类型：期刊论文
| 作者 | Li, L; Wang, ZX; Wang, XJ; Yuan, GQ |
| 刊名 | ACTA POLYMERICA SINICA
 |
| 出版日期 | 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 |
| WOS记录号 | WOS:000077972700015 |
| 出版者 | SCIENCE PRESS |
| 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. |
入库方式： OAI收割
来源：化学研究所
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