平面五配位硅原子和锗原子。
Planar pentacoordinate silicon and germanium atoms.
作者信息
Wang Meng-Hui, Dong Xue, Cui Zhong-Hua, Orozco-Ic Mesías, Ding Yi-Hong, Barroso Jorge, Merino Gabriel
机构信息
Institute of Atomic and Molecular Physics, Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Jilin University, Changchun 130012, China.
出版信息
Chem Commun (Camb). 2020 Nov 18;56(89):13772-13775. doi: 10.1039/d0cc06107g. Epub 2020 Oct 22.
The global minimum of XMgY (X = Si, Ge; Y = In, Tl) and SiMgIn contains a planar pentacoordinate atom of group 14 other than carbon. Its design is based on the "localization" approach, replacing one or two peripheral atoms in XMg by more electronegative ones. This change diminishes the repulsion and leads to stronger covalent X-Y bonds, stabilizing the planar pentacoordinate atom species.
XMgY（X = 硅、锗；Y = 铟、铊）以及SiMgIn的全局最小值包含一个除碳以外的第14族平面五配位原子。其设计基于“定位”方法，通过用更具电负性的原子取代XMg中的一个或两个外围原子。这种变化减少了排斥力，并导致更强的共价X - Y键，从而稳定了平面五配位原子物种。
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