Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin, Germany.
J Phys Chem A. 2013 Feb 14;117(6):1233-9. doi: 10.1021/jp3055137. Epub 2012 Aug 28.
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.
采用红外多光子解离（IRMPD）光谱和密度泛函理论（DFT）研究了气相中小 Pt(n)O(2m)(+)（n = 1-6，m = 1，2）团簇阳离子的结构。根据获得的红外光谱，得出结论：在大多数团簇中，氧以解离的方式键合，优先采用 2 重桥接键合模式，有时与单配位端键合结合。将氧化物团簇结构与之前报道的裸露阳离子铂团簇结构进行比较，揭示了氧键合在铂核中引起的主要结构变化。对于某些团簇尺寸，发现 Ar 示踪原子（多个）的存在会导致观察到的团簇结构发生显著变化。
