Structures of platinum oxide clusters in the gas phase.
Structures of platinum oxide clusters in the gas phase.
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DOI：
10.1021/jp3055137
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发表时间：
2013-02
期刊：
影响因子：
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通讯作者：
C. Kerpal;D. Harding;A. C. Hermes;G. Meijer;S. Mackenzie;A. Fielicke
中科院分区：
文献类型：
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作者：
C. Kerpal;D. Harding;A. C. Hermes;G. Meijer;S. Mackenzie;A. Fielicke
用红外多光子解离（IRMPD）光谱和密度泛函理论（DFT）相结合的方法研究了气相Pt(n)O(2m)(+) （n = 1-6, m = 1,2）簇阳离子的结构。根据得到的红外光谱，得出结论，在大多数簇中，氧是解离结合的，倾向于2重桥结合基序，有时与单配位末端结合。将氧化团簇结构与先前报道的裸阳离子铂团簇结构进行比较，揭示了铂核在氧结合时引起的主要结构变化。对于某些团簇大小，发现Ar信使原子的存在会引起观察到的团簇结构的显著变化。
The structures of small gas-phase Pt(n)O(2m)(+) (n = 1-6, m = 1, 2) cluster cations have been investigated in a combined infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory (DFT) study. On the basis of the infrared spectra obtained, it is concluded that in most clusters oxygen is bound dissociatively, preferring 2-fold bridge binding motifs, sometimes combined with singly coordinated terminal binding. Comparison of the oxide cluster structures with those of bare cationic platinum clusters reported previously reveals major structural changes induced in the platinum core upon oxygen binding. For some cluster sizes the presence of the Ar messenger atom(s) is found to induce a significant change in the observed cluster structure.