Experimental and theoretical investigation on binary anionic clusters of AlmBin-
文献类型：期刊论文
| 作者 | Sun, Zhang1; Zhu, Qihe1; Gao, Zhen1; Tang, Zichao1,2 |
| 刊名 | RAPID COMMUNICATIONS IN MASS SPECTROMETRY
 |
| 出版日期 | 2009-09-01 |
| 卷号 | 23期号:17页码:2663-2668 |
| ISSN号 | 0951-4198 |
| DOI | 10.1002/rcm.4171 |
| 英文摘要 | AlmBin- (m = 1-12; n = 1-4) binary cluster anions are generated by laser ablation of a sample composed of Al and Bi, and studied by reflectron time-of-flight mass spectrometry (RTOF-MS) in the gas phase. Some clusters with magic numbers are present in the mass spectrum. The structures of AlmBin- (m + n <= 7) clusters are investigated with the density functional theory (DFT) method and the most likely structures are obtained. The calculations of the binding energy (BE), energy gain (Delta) and HOMO-LUMO gaps confirm that the Al2Bi3- cluster has a very stable structure, which agrees well with the experimental results. It is further established that Al2Bi3- can be considered as a gas-phase Zintl analogue that follows Wade's rules and is the analogue of Ga2Bi3- and Sn-5(2-) Zintl ions. Copyright (C) 2009 John Wiley & Sons, Ltd. |
| 语种 | 英语 |
| WOS记录号 | WOS:000269280300009 |
| 出版者 | WILEY-BLACKWELL |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/67711]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Gao, Zhen |
| 作者单位 | 1.Chinese Acad Sci, Inst Chem, State Key Lab Mol React Dynam, Ctr Mol Sci,BNLMS, Beijing 100190, Peoples R China 2.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Sun, Zhang,Zhu, Qihe,Gao, Zhen,et al. Experimental and theoretical investigation on binary anionic clusters of AlmBin-[J]. RAPID COMMUNICATIONS IN MASS SPECTROMETRY,2009,23(17):2663-2668. |
| APA | Sun, Zhang,Zhu, Qihe,Gao, Zhen,&Tang, Zichao.(2009).Experimental and theoretical investigation on binary anionic clusters of AlmBin-.RAPID COMMUNICATIONS IN MASS SPECTROMETRY,23(17),2663-2668. |
| MLA | Sun, Zhang,et al."Experimental and theoretical investigation on binary anionic clusters of AlmBin-".RAPID COMMUNICATIONS IN MASS SPECTROMETRY 23.17(2009):2663-2668. |
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来源：化学研究所
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