Gas-phase structures of neutral silicon clusters
Gas-phase structures of neutral silicon clusters
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DOI：
10.1063/1.3682323
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发表时间：
2012-02-14
影响因子：
4.4
通讯作者：
Fielicke, Andre
中科院分区：
文献类型：
--
作者：
Haertelt, Marko;Lyon, Jonathan T.;Fielicke, Andre
尺寸范围为 n = 6-10 和 n = 15 的中性硅团簇 Si-n 的振动光谱已通过两种根本不同的红外光谱方法在气相中测量。由 8、9 和 15 个原子组成的硅簇已通过簇-氙络合物的红外多光子解离光谱进行了研究，而包含 6、7、9 和 10 个原子的簇则通过可调谐的红外-紫外双色电离方案进行了研究。对于 Si-9 星团可以对两种方法进行比较。通过使用密度泛函理论，可以识别实验观察到的中性团簇结构，并且可以研究电荷对中性物和阳离子结构的影响，这些影响先前通过红外多光子解离进行了研究。小簇的结构基于双锥体图案，而大簇中则以三棱柱为中心单元。由于失去电子而导致键减弱，导致中性 Si-8 和阳离子 Si-8 之间发生重大结构变化。 (C) 2012 年美国物理研究所。 [doi:10.1063/1.3682323]
Vibrational spectra of neutral silicon clusters Si-n, in the size range of n = 6-10 and for n = 15, have been measured in the gas phase by two fundamentally different IR spectroscopic methods. Silicon clusters composed of 8, 9, and 15 atoms have been studied by IR multiple photon dissociation spectroscopy of a cluster-xenon complex, while clusters containing 6, 7, 9, and 10 atoms have been studied by a tunable IR-UV two-color ionization scheme. Comparison of both methods is possible for the Si-9 cluster. By using density functional theory, an identification of the experimentally observed neutral cluster structures is possible, and the effect of charge on the structure of neutrals and cations, which have been previously studied via IR multiple photon dissociation, can be investigated. Whereas the structures of small clusters are based on bipyramidal motifs, a trigonal prism as central unit is found in larger clusters. Bond weakening due to the loss of an electron leads to a major structural change between neutral and cationic Si-8. (C) 2012 American Institute of Physics. [doi:10.1063/1.3682323]