中国科学院大连化学物理研究所机构知识库
Advanced  
DICP OpenIR  > 中国科学院大连化学物理研究所  > 期刊论文
题名: Formation of Mo-carbene active sites in Mo/Beta zeolite catalysts with different olefins: Theoretical exploration of possible reaction pathways and substituent effects
作者: Guan, Jing1;  Yang, Gang1;  Zhou, Danhong1, 2;  Zhang, Weiping1;  Liu, Xianchun1;  Han, Xiuwen1;  Bao, Xinhe1
通讯作者: 包信和
关键词: density functional calculations ;  Mo-carbene ;  olefin metathesis ;  substituent effects ;  zeolite
刊名: CATALYSIS COMMUNICATIONS
发表日期: 2008-07-20
DOI: 10.1016/j.catcom.2008.05.020
卷: 9, 期:13, 页:2213-2216
收录类别: SCI
文章类型: Article
部门归属: 5
项目归属: 502
产权排名: 1;1
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
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.
关键词[WOS]: METATHESIS ACTIVITY ;  FE/ZSM-5 ZEOLITE ;  MAS NMR ;  DENSITY ;  SILICA ;  HYDRODESULFURIZATION ;  MOLYBDENUM ;  COMPLEXES ;  BETA
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000257973600016
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/100645
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

Files in This Item:

There are no files associated with this item.


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

Recommended Citation:
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.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Guan, Jing]'s Articles
 [Yang, Gang]'s Articles
 [Zhou, Danhong]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Guan, Jing]‘s Articles
 [Yang, Gang]‘s Articles
 [Zhou, Danhong]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
  Add to CiteULike  Add to Connotea  Add to Del.icio.us  Add to Digg  Add to Reddit 
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Powered by CSpace