CAl：一种具有准平面四配位碳的分子转子。
CAl: a molecular rotor with a quasi-planar tetracoordinate carbon.
作者信息
Bai Li-Xia, Barroso Jorge, Orozco-Ic Mesías, Ortiz-Chi Filiberto, Guo Jin-Chang, Merino Gabriel
机构信息
Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, Taiyuan 030006, China.
Departamento de Física Aplicada, Centro de Investigación y de Estudios Avanzados, Unidad Mérida. Km 6 Antigua Carretera a Progreso. Apdo. Postal 73, Cordemex, 97310, Mérida, Yuc, Mexico.
出版信息
Chem Commun (Camb). 2023 Apr 20;59(33):4966-4969. doi: 10.1039/d3cc00855j.
In this work, we analyzed the bonding and fluxional character of the global minimum of CAl. Its structure is formed by two stacked layers, one of them resembles the well-known planar tetracoordinate carbon CAl on top of a hexagonal Al@Al wheel. Our results show that the CAl fragment rotates freely around the central axis. The exceptional stability and fluxionality of CAl derive from its particular electron distribution.
在这项工作中，我们分析了CAl全局最小值的键合和动态特性。它的结构由两个堆叠层组成，其中一层类似于位于六边形Al@Al轮顶部的著名平面四配位碳CAl。我们的结果表明，CAl片段围绕中心轴自由旋转。CAl的特殊稳定性和动态性源于其特殊的电子分布。
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