mechanisticstudiesonmichaeltypeadditionbynmrtechniqueanddftmethodsco5wcoetc2phasthesubstrate
文献类型：期刊论文
| 作者 | Gu KC(顾开春); Yang G(杨刚); Zhang WP(张维萍); Liu XM(刘秀梅); Yu ZK(余正坤); Han XW(韩秀文); Bao XH(包信和) |
| 刊名 | chinesejournalofinorganicchemistry
 |
| 出版日期 | 2006-01-01 |
| 卷号 | 22期号:6页码:1043 |
| ISSN号 | 1001-4861 |
| 英文摘要 | Kinetics of Michael type addition using alkynyl carbene complex as substituent was studied by H-1 NMR technique. To either Substituted pyrazols or tungsten Fischer carbene, the reaction is of first order. And when the substituted groups at 3,5-positions become larger, the reaction rates slow down, with the obvious increase in activation enthalpies and entropies. Through density functional calculations, the mechanism of Michael type addition was investigated with alkynyl carbene complex as the substrate and 3,5-diphenyl-pyrazole (or 3,5-ditertbutyl-pyrazole) as the nucleophile. It was found that the large substituted groups will increase greatly the activation of step 3, making it larger than that of step 1. Accordingly, the rate-determining step should be step 3, which is different from the Michael reactions with pyrazoles containing smaller substituted groups or without substituted groups. |
| 语种 | 英语 |
| 源URL | [http://cas-ir.dicp.ac.cn/handle/321008/176120]  |
| 专题 | 大连化学物理研究所_中国科学院大连化学物理研究所 |
| 作者单位 | 中国科学院大连化学物理研究所 |
| 推荐引用方式 GB/T 7714 | Gu KC,Yang G,Zhang WP,et al. mechanisticstudiesonmichaeltypeadditionbynmrtechniqueanddftmethodsco5wcoetc2phasthesubstrate[J]. chinesejournalofinorganicchemistry,2006,22(6):1043. |
| APA | 顾开春.,杨刚.,张维萍.,刘秀梅.,余正坤.,...&包信和.(2006).mechanisticstudiesonmichaeltypeadditionbynmrtechniqueanddftmethodsco5wcoetc2phasthesubstrate.chinesejournalofinorganicchemistry,22(6),1043. |
| MLA | 顾开春,et al."mechanisticstudiesonmichaeltypeadditionbynmrtechniqueanddftmethodsco5wcoetc2phasthesubstrate".chinesejournalofinorganicchemistry 22.6(2006):1043. |
入库方式： OAI收割
来源：大连化学物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。