Theoretical studies on the reaction mechanism of oxidation of primary alcohols by Zn/Cu(II)-phenoxyl radical catalyst
文献类型：期刊论文
| 作者 | Cheng L ; Wang JP ; Wang MY ; Wu ZJ |
| 刊名 | dalton transactions
 |
| 出版日期 | 2009 |
| 期号 | 17页码:3286-3297 |
| ISSN号 | 1477-9226 |
| 关键词 | ENERGY CROSSING POINTS MONONUCLEAR CU-II GALACTOSE-OXIDASE AEROBIC OXIDATION ACTIVE-SITE ELECTRONIC-STRUCTURE 2-STATE REACTIVITY COPPER SITE END-ON COMPLEXES |
| 通讯作者 | wu zj |
| 中文摘要 | the catalytic mechanism for the oxidation of primary alcohols catalyzed by the two functional models of galactose oxidase (goase), m-ii l (m = cu, zn; l = n,n'-bis(3,5-di-tert-butyl-2-hydroxyphenyl)1-2-diiminoquinone)), has been studied by use of the density functional method b3lyp the catalytic cycle of cu- and zn-catalysts consists of two parts, namely, substrate oxidation (primary alcohol oxidation) and o-2 reduction (catalyst regeneration). the catalytic mechanisms have been studied for the two reaction pathways (route 1 and route 2). the calculations indicate that the hydrogen atom transfer within the substrate oxidation part is the rate-determining step for both catalysts, in agreement with the experimental observation. |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000265160700019 |
| 公开日期 | 2010-05-04 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/11739]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Cheng L,Wang JP,Wang MY,et al. Theoretical studies on the reaction mechanism of oxidation of primary alcohols by Zn/Cu(II)-phenoxyl radical catalyst[J]. dalton transactions,2009(17):3286-3297. |
| APA | Cheng L,Wang JP,Wang MY,&Wu ZJ.(2009).Theoretical studies on the reaction mechanism of oxidation of primary alcohols by Zn/Cu(II)-phenoxyl radical catalyst.dalton transactions(17),3286-3297. |
| MLA | Cheng L,et al."Theoretical studies on the reaction mechanism of oxidation of primary alcohols by Zn/Cu(II)-phenoxyl radical catalyst".dalton transactions .17(2009):3286-3297. |
入库方式： OAI收割
来源：长春应用化学研究所
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