Sheong Fu Kit, Chen Wen-Jie, Kim Hwon, Lin Zhenyang
Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong, People's Republic of China.
Dalton Trans. 2015 Apr 28;44(16):7251-7. doi: 10.1039/c5dt00097a.
We have provided a model for understanding two isoelectronic matryoshka clusters, Sn@Cu12@Sn20 and As@Ni12@As20. By dividing each of the clusters in a layer-by-layer manner and allowing each layer to follow a simple electron-filling rule, we can formulate a consistent model to explain experimental and computed properties of both matryoshka clusters that cannot be adequately explained by existing models. By analysing these clusters in a way analogous to peeling an onion, we can not only have an understanding of the structure and bonding of the two matryoshka clusters under study, but also have a generalizable model to handle certain p/d-block@d-block endohedral clusters.
我们提供了一个用于理解两个等电子套娃簇Sn@Cu12@Sn20和As@Ni12@As20的模型。通过逐层划分每个簇，并使每一层遵循简单的电子填充规则，我们可以构建一个一致的模型来解释这两个套娃簇的实验和计算性质，而现有模型无法充分解释这些性质。通过以类似于剥洋葱的方式分析这些簇，我们不仅可以了解所研究的两个套娃簇的结构和键合，还可以得到一个可推广的模型来处理某些p/d族@d族内嵌簇。
