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 |
| 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. |
| WOS标题词 | science & technology ; life sciences & biomedicine ; physical sciences ; technology |
| 类目[WOS] | biochemical research methods ; chemistry, analytical ; spectroscopy |
| 研究领域[WOS] | biochemistry & molecular biology ; chemistry ; spectroscopy |
| 关键词[WOS] | aluminum phosphide clusters ; effective core potentials ; ab-initio ; photoelectron-spectroscopy ; molecular calculations ; electronic-structure ; 1st principles ; density ; elements ; stability |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000269280300009 |
| 公开日期 | 2015-11-17 |
| 源URL | [http://159.226.238.44/handle/321008/141497]  |
| 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, 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. |
入库方式： OAI收割
来源：大连化学物理研究所
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