Gas-phase chemistry of nitrogen trifluoride NF3: structure and stability of its M+-NF3 (M = H, Li, Na, K) complexes
文献类型：期刊论文
| 作者 | Pei, KM; Liang, J; Li, HY |
| 刊名 | journal of molecular structure
 |
| 出版日期 | 2004-03-02 |
| 卷号 | 690期号:1-3页码:159-163 |
| 关键词 | gas-phase chemistry nitrogen trifluoride complex ion attachment mass spectrometry |
| 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. |
| 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 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000188886900021 |
| 公开日期 | 2015-11-10 |
| 源URL | [http://159.226.238.44/handle/321008/138439]  |
| 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, 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. |
入库方式： OAI收割
来源：大连化学物理研究所
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