期刊
JOURNAL OF PHYSICAL CHEMISTRY A
卷 126, 期 22, 页码 3502-3510出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpca.2c02142
关键词
-
资金
- German Research Foundation (Deutsche Forschungsgemeinschaft, DFG) [426888090 (SFB 1441)]
- BMBF through the Helmholtz Association via the POF program MSE
- state of Baden-Wurttemberg through the bwHPC
- German Research Foundation (DFG) [INST 40/467-1 FUGG]
The structures of platinum cluster anions have been investigated, and a structural evolution from planar structures to distorted tetrahedra structures has been observed.
The structures of platinum cluster anions Pt6--Pt13- have been investigated by trapped ion electron diffraction. Structures were assigned by comparing experimental and simulated scattering functions using candidate structures obtained by density functional theory computations, including spin-orbit coupling. We find a structural evolution from planar structures (Pt6-, Pt7-) and amorphous-like structures (Pt7--Pt9-) to structures based on distorted tetrahedra (Pt9--Pt11-). Finally, Pt12- and Pt13- are based on hcp fragments. While the structural parameters are well described by density functional theory computations for all clusters studied, the predicted lowest energy structure is found in the experiment only for Pt6-. For larger clusters, higher energy isomers are necessary to obtain a fit to the scattering data.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据