ICCAS OpenIR
Experimental and theoretical investigation on binary anionic clusters of AlmBin-
Sun, Zhang1; Zhu, Qihe1; Gao, Zhen1; Tang, Zichao1,2
2009-09-01
Source PublicationRAPID COMMUNICATIONS IN MASS SPECTROMETRY
ISSN0951-4198
Volume23Issue:17Pages:2663-2668
AbstractAlmBin- (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.
DOI10.1002/rcm.4171
Indexed BySCI
Language英语
WOS IDWOS:000269280300009
PublisherWILEY-BLACKWELL
Citation statistics
Cited Times:6[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/67712
Collection中国科学院化学研究所
Corresponding AuthorGao, Zhen
Affiliation1.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
Recommended Citation
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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