硅铜团簇中的平面四配位硅
Planar Tetracoordinate Silicon in SiCu Cluster.
作者信息
Yin Xiao-Han, Zeng Hong-Lin, Liu Xin-Bo, Xu Xi-Ling, Xu Hong-Guang, Merino Gabriel, Zheng Wei-Jun, Cui Zhong-Hua
机构信息
Institute of Atomic and Molecular Physics, Jilin University, Changchun, 130023, China.
Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Molecular Reaction Dynamics, Institute of Chemistry, Chinese Academy of Sciences, Beijing, China.
出版信息
Angew Chem Int Ed Engl. 2025 Jan 15;64(3):e202415789. doi: 10.1002/anie.202415789. Epub 2024 Nov 7.
Photoelectron spectroscopy and theoretical calculations have identified the global minimum structure of the 16-valence electron SiCu cluster, which features a planar tetracoordinate silicon (ptSi) in a rhombic arrangement. The Si and Cu triangles are interconnected by a Si/Cu edge, forming an ordered chain-like structure. Besides the conventional 2c-2e σ-bond connecting Si and Cu, the stability of this cluster is reinforced by a delocalized 3c-2e σ-bond in Cu and a π-bond in Si. Our study provides experimental confirmation of a planar hypercoordinate heavier Group 14 element, opening possibilities for exploring similar structures in two-dimensional materials.
光电子能谱和理论计算已经确定了具有16个价电子的SiCu团簇的全局最小结构，其特征是呈菱形排列的平面四配位硅（ptSi）。硅和铜三角形通过Si/Cu边相互连接，形成有序的链状结构。除了连接硅和铜的传统2c-2e σ键外，该团簇的稳定性还通过铜中的离域3c-2e σ键和硅中的π键得到加强。我们的研究为平面超配位较重的第14族元素提供了实验证实，为探索二维材料中的类似结构开辟了可能性。
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