Centro de Investigación en Ingeniería Molecular, Universidad Católica de Santa María, 04013, Urb. San José S/N, Umacollo, Arequipa, Perú.
Computational and Theoretical Chemistry Group Departamento de Ciencias Químicas, Facultad de Ciencias Exactas, Universidad Andres Bello, República 498, 8370251, Santiago, Chile.
Chemphyschem. 2021 May 17;22(10):906-910. doi: 10.1002/cphc.202001051. Epub 2021 Apr 19.
We report the global minima structures of Li Si , Li Si , and Li Si systems, in which silicon moieties maintain structural and chemical bonding characteristics similar to those of their building blocks: the aromatic clusters T -Li Si and C -Li Si . Electron counting rules, chemical bonding analysis, and magnetic response properties verify the silicon unit's aromaticity persistence. This study demonstrates the feasibility of assembling silicon-based nanostructures from aromatics clusters as building blocks.
我们报道了 LiSi、LiSi 和 LiSi 体系的全局极小值结构，其中硅基团保持与它们的构建块（芳香簇 T-LiSi 和 C-LiSi）相似的结构和化学成键特征。电子计数规则、化学成键分析和磁性响应性质验证了硅单元的芳香稳定性。这项研究表明了从芳香簇作为构建块组装基于硅的纳米结构的可行性。
