Beijing National Laboratory for Molecular Sciences (BNLMS), State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China.
University of Chinese Academy of Sciences, Beijing 100049, China.
Phys Chem Chem Phys. 2023 Feb 22;25(8):6498-6509. doi: 10.1039/d2cp04978c.
Bimetallic niobium-doped aluminum clusters, NbAl ( = 3-12), are investigated through a synergetic combination of size-selected anion photoelectron spectroscopy and theoretical calculations. It is found that the dominant structures of NbAl anions with = 3-8 can be described by gradually adding Al atoms to the NbAl core. Starting from = 9, the lowest-energy geometric structures of NbAl transform into bilayer structures. In particular, NbAl has a symmetric structure, which can be viewed as a NbAl regular hexagon over a bowl-shaped Al structure. More detailed analyses indicate that NbAl and NbAl possess unusual stability, which may be attributed to their closed-shell electron configurations with superatomic features.
采用尺寸选择负离子光电离光谱学和理论计算的协同组合，研究了双金属掺铌铝团簇，NbAl（=3-12）。结果发现，NbAl 负离子的主导结构（=3-8）可以通过逐渐向 NbAl 核添加 Al 原子来描述。从=9 开始，NbAl 的最低能量几何结构转变为双层结构。特别是，NbAl 具有对称结构，可以看作是一个 NbAl 正六边形覆盖在碗状 Al 结构上。更详细的分析表明，NbAl 和 NbAl 具有异常的稳定性，这可能归因于它们具有超原子特征的闭壳层电子组态。
