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Experimental and theoretical investigation on binary anionic clusters of AlmBin-
Sun, Zhang1; Zhu, Qihe1; Gao, Zhen1; Tang, Zichao1,2
刊名RAPID COMMUNICATIONS IN MASS SPECTROMETRY
2009-09-01
DOI10.1002/rcm.4171
23期:17页:2663-2668
收录类别SCI
文章类型Article
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
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
引用统计
被引频次:6[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/321008/141497
专题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
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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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