DICP OpenIR
Gas-phase chemistry of nitrogen trifluoride NF3: structure and stability of its M+-NF3 (M = H, Li, Na, K) complexes
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
2004-03-02
DOI10.1016/j.molstruc.2003.11.037
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
关键词[WOS]ION ; ISOMERS ; DENSITY ; PLASMA ; MASS
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.
语种英语
WOS记录号WOS:000188886900021
引用统计
被引频次:14[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/138439
专题中国科学院大连化学物理研究所
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
推荐引用方式
GB/T 7714
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.
APA Pei, KM,Liang, J,&Li, HY.(2004).Gas-phase chemistry of nitrogen trifluoride NF3: structure and stability of its M+-NF3 (M = H, Li, Na, K) complexes.JOURNAL OF MOLECULAR STRUCTURE,690(1-3),159-163.
MLA Pei, KM,et al."Gas-phase chemistry of nitrogen trifluoride NF3: structure and stability of its M+-NF3 (M = H, Li, Na, K) complexes".JOURNAL OF MOLECULAR STRUCTURE 690.1-3(2004):159-163.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Pei, KM]的文章
[Liang, J]的文章
[Li, HY]的文章
百度学术
百度学术中相似的文章
[Pei, KM]的文章
[Liang, J]的文章
[Li, HY]的文章
必应学术
必应学术中相似的文章
[Pei, KM]的文章
[Liang, J]的文章
[Li, HY]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

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。