Formation of Mo-carbene active sites in Mo/Beta zeolite catalysts with different olefins: Theoretical exploration of possible reaction pathways and substituent effects
文献类型：期刊论文
| 作者 | Guan, Jing1; Yang, Gang1; Zhou, Danhong1,2; Zhang, Weiping1; Liu, Xianchun1; Han, Xiuwen1; Bao, Xinhe1 |
| 刊名 | catalysis communications
 |
| 出版日期 | 2008-07-20 |
| 卷号 | 9期号:13页码:2213-2216 |
| 关键词 | density functional calculations Mo-carbene olefin metathesis substituent effects zeolite |
| 产权排序 | 1;1 |
| 通讯作者 | 包信和 |
| 英文摘要 | metal-carbenes act as the active sites in varieties of important reactions, and in this work, the possible pathways of mo-carbene formation in mo/beta zeolite were explored by density functional calculations. four chiral oxametallacyclobutane intermediates of different energies were determined for either propylene or 2-butylene, corresponding to the four independent reaction pathways. the main products were mo-methylidene for propylene and syn-mo-ethylidene for 2-butylene, respectively. on the basis of energy profiles, the activities of producing the mo-carbene species were found to decrease in the order of propylene > 2-butylene > ethylene, which were the compromising results of electrophilic and steric effects. (c) 2008 elsevier b.v. all rights reserved. |
| WOS标题词 | science & technology ; physical sciences |
| 类目[WOS] | chemistry, physical |
| 研究领域[WOS] | chemistry |
| 关键词[WOS] | metathesis activity ; fe/zsm-5 zeolite ; mas nmr ; density ; silica ; hydrodesulfurization ; molybdenum ; complexes ; beta |
| 收录类别 | SCI |
| 原文出处 | true |
| 语种 | 英语 |
| WOS记录号 | WOS:000257973600016 |
| 公开日期 | 2010-11-30 |
| 源URL | [http://159.226.238.44/handle/321008/100645]  |
| 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 | 1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Catalysis, Dalian 116023, Peoples R China 2.Liaoning Normal Univ, Coll Chem & Chem Engn, Inst Chem Functionalized Mat, Dalian 116029, Peoples R China |
| 推荐引用方式 GB/T 7714 | Guan, Jing,Yang, Gang,Zhou, Danhong,et al. Formation of Mo-carbene active sites in Mo/Beta zeolite catalysts with different olefins: Theoretical exploration of possible reaction pathways and substituent effects[J]. catalysis communications,2008,9(13):2213-2216. |
| APA | Guan, Jing.,Yang, Gang.,Zhou, Danhong.,Zhang, Weiping.,Liu, Xianchun.,...&Bao, Xinhe.(2008).Formation of Mo-carbene active sites in Mo/Beta zeolite catalysts with different olefins: Theoretical exploration of possible reaction pathways and substituent effects.catalysis communications,9(13),2213-2216. |
| MLA | Guan, Jing,et al."Formation of Mo-carbene active sites in Mo/Beta zeolite catalysts with different olefins: Theoretical exploration of possible reaction pathways and substituent effects".catalysis communications 9.13(2008):2213-2216. |
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。