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Structural and bonding properties of ScSin- (n=2～6) clusters: photoelectron spectroscopy and density functional calculations |
| Xu Hong-Guang(许洪光)a), Wu Miao-Miao(吴苗苗) b), Zhang Zeng-Guang(张增光)a), Sun Qiang(孙强)b)†, and Zheng Wei-Jun(郑卫军)a)‡ |
| a Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China; b Department of Advanced Materials and Nanotechnology and Center for Applied Physics and Technology, Peking University, Beijing 100871, China |
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Abstract Anion ion photoelectron spectroscopy and density functional theory (DFT) are used to investigate the electronic and structural properties of ScSi$_{n}^{ - }$ ($n=2\sim6$) clusters and their neutrals. We find that the structures of ScSi$_{n}^{ - }$ are similar to those of Si$_{n + 1}^{ - }$. The most stable isomers of ScSi$_{n}^{ - }$ cluster anions and their neutrals are similar for $n$=2, 3 and 5 but different for $n$=4 and 6, indicating that the charge effect on geometry is size dependent for small scandium--silicon clusters. The low electron binding energy (EBE) tails observed in the spectra of ScSi$_{4,6}^{ - }$ can be explained by the existence of less stable isomers. A comparison between ScSi$_{n}^{ - }$ and VSi$_{n}^{ - }$ clusters shows the effects of metal size and electron configuration on cluster geometries.
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Received: 31 August 2010
Revised: 14 October 2010
Accepted manuscript online:
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PACS:
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31.15.E-
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33.60.+q
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(Photoelectron spectra )
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36.40.Mr
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(Spectroscopy and geometrical structure of clusters)
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| Fund: Project supported by the Knowledge Innovation Program of the Chinese Academy of Sciences (Grant No. KJCX2-EW-01) and the National Natural Science Foundation of China (Grant Nos. 20853001 and 10874007). |
Cite this article:
Xu Hong-Guang(许洪光), Wu Miao-Miao(吴苗苗), Zhang Zeng-Guang(张增光), Sun Qiang(孙强), and Zheng Wei-Jun(郑卫军) Structural and bonding properties of ScSin- (n=2～6) clusters: photoelectron spectroscopy and density functional calculations 2011 Chin. Phys. B 20 043102
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