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: Gas-phase chemistry of nitrogen trifluoride NF3: structure and stability of its M+-NF3 (M = H, Li, Na, K) complexes
作者: Pei, KM;  Liang, J;  Li, HY
关键词: gas-phase chemistry ;  nitrogen trifluoride ;  complex ;  ion attachment mass spectrometry
刊名: JOURNAL OF MOLECULAR STRUCTURE
发表日期: 2004-03-02
DOI: 10.1016/j.molstruc.2003.11.037
卷: 690, 期:1-3, 页:159-163
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Physical Sciences
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
英文摘要: The stationary points characterizing the potential energy profiles of the complex processes of the M+(M = H, Li, Na, K) and NF3 were investigated by QCISD and B3LYP in conjunction with the 6-311 + G(2d,2p) basis set. The optimized geometries and NBO analysis indicate that the complexes of M+(M = Li, Na, K) and NF3 exist as ion-dipole molecules. But for H+ complexes, there are two stable isomers NF3H+ and NF2+-HF. The interaction distances of isomers follow the sequence H+ < Li+ < Na+ < K+. The calculated affinity energies of the most stable isomers of H+, Li+, Na+, and K+ complexes exceed 20.1 kJ/mol, and these values suggest that the M+-NF3 (M = H, Li, Na, K) complexes could be observed as stable species in gas phase, which supports Fujii's proposal that Li+ ion attachment mass spectrometry can serve as a conceivable technique to quantify the emissions of the NF3. (C) 2003 Elsevier B.V. All fights reserved.
关键词[WOS]: ION ;  ISOMERS ;  DENSITY ;  PLASMA ;  MASS
语种: 英语
WOS记录号: WOS:000188886900021
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/138439
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, Anhui Inst Opt & Fine Mech, Hefei 230031, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China

Recommended Citation:
Pei, KM,Liang, J,Li, HY. Gas-phase chemistry of nitrogen trifluoride NF3: structure and stability of its M+-NF3 (M = H, Li, Na, K) complexes[J]. JOURNAL OF MOLECULAR STRUCTURE,2004,690(1-3):159-163.
Service
 Recommend this item
 Sava as my favorate item
 Show this item's statistics
 Export Endnote File
Google Scholar
 Similar articles in Google Scholar
 [Pei, KM]'s Articles
 [Liang, J]'s Articles
 [Li, HY]'s Articles
CSDL cross search
 Similar articles in CSDL Cross Search
 [Pei, KM]‘s Articles
 [Liang, J]‘s Articles
 [Li, HY]‘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