Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability
文献类型：期刊论文
| 作者 | Ding, Kewei1,4; Li, Taoqi4; Xu, Hongguang3; Li, Yisu2; Ge, Zhongxue1,4; Zhu, Weiliang2 ; Zheng, Weijun3
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| 刊名 | CHEMICAL PHYSICS LETTERS
 |
| 出版日期 | 2020-05-16 |
| 卷号 | 747页码:5 |
| 关键词 | Nitrogen cluster LiN12+ Mass spectrometry Structure |
| ISSN号 | 0009-2614 |
| DOI | 10.1016/j.cplett.2020.137310 |
| 通讯作者 | Ge, Zhongxue(gzx204@sina.com) ; Zhu, Weiliang(wlzhu@mail.shcnc.ac.cn) ; Zheng, Weijun(zhengwj@iccas.ac.cn) |
| 英文摘要 | Nitrogen-rich lithium cluster cation LiN12+ was generated by laser ablation at specific experimental conditions and analyzed by mass spectrometry. Density functional theory calculations were conducted at the M06-2X/6311+G(d,p) level to search for stable structures of LiN12+ and its neutral counterpart. The results showed that the most stable structure of LiN12+ is in the form of Li(N2) 6+ with Oh symmetry, while that of LiN12 is in the form of Li(N2)4(.1-N4) with C2v symmetry. Natural bond orbital analyses revealed that the stability of LiN12+ is mainly due to the ion-induced dipole interactions between the Li+ ion and N2 molecules. |
| WOS关键词 | IR SPECTROSCOPY ; METAL ; COORDINATION ; COMPLEXES ; MOLECULES ; CHEMISTRY ; ELEMENTS ; SERIES ; N-2 ; N6 |
| 资助项目 | Beijing Municipal Science and Technology Commission[Z191100007219009] ; National Natural Science Foundation of China[21103202] ; National Natural Science Foundation of China[21273246] |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000528934200030 |
| 出版者 | ELSEVIER |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/280534]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Ge, Zhongxue; Zhu, Weiliang; Zheng, Weijun |
| 作者单位 | 1.State Key Lab Fluorine & Nitrogen Chem, Xian 710065, Peoples R China 2.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China 3.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, BNLMS, Beijing 100190, Peoples R China 4.Xian Modern Chem Res Inst, Xian 710065, Peoples R China |
| 推荐引用方式 GB/T 7714 | Ding, Kewei,Li, Taoqi,Xu, Hongguang,et al. Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability[J]. CHEMICAL PHYSICS LETTERS,2020,747:5. |
| APA | Ding, Kewei.,Li, Taoqi.,Xu, Hongguang.,Li, Yisu.,Ge, Zhongxue.,...&Zheng, Weijun.(2020).Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability.CHEMICAL PHYSICS LETTERS,747,5. |
| MLA | Ding, Kewei,et al."Mass spectrometry detection of LiN12+ cluster and theoretical investigation of its structures and stability".CHEMICAL PHYSICS LETTERS 747(2020):5. |
入库方式： OAI收割
来源：上海药物研究所
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