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 mechanism of selane from the reaction system of selenium, carbon monooxide and water
作者: Li, J;  Qu, YQ;  Han, KL;  Lu, SW;  He, GZ
关键词: selane ;  triethylamine ;  CPCM ;  solvent effect ;  tetrahydrofuran
刊名: CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
发表日期: 2006-04-10
卷: 27, 期:4, 页:708-710
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
英文摘要: A detailed mechanism for the formation of selane (H2Se) from Se-CO-H2O system in the presence of triethylamine Was studied by density functional theory calculations at the B3LYP/6-31G** level. The solvent effect is assessed by the CPCM method at the same level. The calculations suggest that the reaction proceeds through three transition states with energies barriers of 45.4, 8.4 and 19.9 kJ/mol in solvent tetrahydrofuran, respectively. The intermediate compound [ ( HOOCSe-) (.) ( Base (.) H+ )] whose stability is close to that of the product, may coexist with amine salt of hydrogen selenide [( HSe- ] (.) [ Base (.) H+]) and works as a reductant according to the results of theoretical calculations.
关键词[WOS]: MONOXIDE WATER
语种: 英语
WOS记录号: WOS:000236899200029
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/140232
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, Dalian 116023, Peoples R China

Recommended Citation:
Li, J,Qu, YQ,Han, KL,et al. Formation mechanism of selane from the reaction system of selenium, carbon monooxide and water[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2006,27(4):708-710.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Li, J]'s Articles
 [Qu, YQ]'s Articles
 [Han, KL]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Li, J]‘s Articles
 [Qu, YQ]‘s Articles
 [Han, KL]‘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