用离子移动性质谱法研究氧化物离子的几何结构
Yuto Nakajima1, M Abdul Latif1, Toshiaki Nagata1
1Department of Chemistry, Graduate School of Science, Tohoku University, 6-3 Aoba, Aramaki, Aoba-ku, Sendai 980-8578, Japan.
The journal of physical chemistry. A
|October 14, 2025
概括
氧化物集群离子采用比它们的阴离子对应物更扩展的结构. 增加的电子密度稳定了阳离子中的平面配置,从而产生更大的碰撞截面 (CCS).
科学领域:
- 无机化学 无机化学
- 物理化学 物理化学
- 材料科学 材料科学 材料科学
背景情况:
- 研究白金氧化物团的几何结构对于理解它们的化学性质至关重要.
- 之前的研究已经探索了化氧化聚类,为比较提供了基础.
研究的目的:
- 确定氧化聚离子 (PtnOn-) 的几何结构.
- 为了比较离子的结构与它们的阴离子对应物 (PtnOn+).
主要方法:
- 使用离子移动性质谱法测量了与在170K的碰撞截面 (CCS).
- 实验CCS值与理论计算进行了比较,以分配集群结构.
- 进行了自然键轨道 (NBO) 电荷分析.
主要成果:
- 氧化物集群离子 (PtnOn-) 呈现出比它们的阴离子对应物 (PtnOn+) 更大的CCS.
- 对离子 (n = 4-7) 预测了带有桥接氧原子的平面Pt框架.
- 对于n ≥5的电离物种采用了三维结构.
结论:
- 阴离子采用比阴离子更延伸的结构,因为电子密度增加稳定平面配置.
- 这些发现提供了对氧化集群的结构属性关系的见解.
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