Department of Chemistry, Graduate School of Science, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578, Japan.
J Phys Chem A. 2023 Apr 27;127(16):3570-3576. doi: 10.1021/acs.jpca.2c09017. Epub 2023 Apr 14.
Structures of platinum oxide cluster cations (PtO) were studied by ion mobility-mass spectrometry in combination with theoretical calculations. Structures of oxygen-equivalent PtO ( = 3-7) clusters were discussed from the comparison between their collision cross sections (CCSs) obtained by mobility measurement and simulated CCSs of their structural candidates from structural optimization calculations. Assigned structures of PtO were found to be composed of Pt frameworks and bridging O atoms, which follows the previous theoretical prediction on the neutral clusters. The structures change from planar ( = 3 and 4) to three-dimensional ( = 5-7) with increasing cluster size by deforming platinum frameworks. Comparison with other group-10 metal oxide cluster cations (MO; M = Ni and Pd) showed that the PtO structures have a similar tendency to PdO rather than NiO.
采用离子淌度-质谱联用技术结合理论计算研究了氧化铂簇离子（PtO）的结构。通过比较通过淌度测量得到的碰撞截面（CCS）与结构优化计算得到的结构候选物的模拟 CCS，讨论了氧等价 PtO（ = 3-7）簇的结构。发现分配的 PtO 结构由 Pt 框架和桥连 O 原子组成，这与先前关于中性簇的理论预测一致。随着簇尺寸的增加，通过改变铂框架，结构从平面（ = 3 和 4）变为三维（ = 5-7）。与其他第 10 族金属氧化物簇离子（MO；M = Ni 和 Pd）的比较表明，PtO 结构与 PdO 具有相似的趋势，而与 NiO 不同。
