Spherical trihedral metallo-borospherenes
Spherical trihedral metallo-borospherenes
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DOI：
10.1038/s41467-020-16532-x
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发表时间：
2020-06-02
影响因子：
16.6
通讯作者：
Wang, Lai-Sheng
中科院分区：
文献类型：
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作者：
Chen, Teng-Teng;Li, Wan-Lu;Wang, Lai-Sheng
硼球烯的发现揭示了硼形成类富勒烯笼状结构的能力。虽然已知富勒烯捕获金属原子以形成内嵌金属富勒烯，但已观察到很少金属原子是富勒烯笼的一部分。在这里，我们报告观察到一类显着的金属borospherenes，其中金属原子的笼表面的组成部分。我们制备了La_3B_（18）~-和Tb_3B_（18）~-，并利用光电子能谱和理论计算探讨了它们的结构和成键。全局极小搜索结果表明，Ln（3）B（18）（-）的最稳定结构是D-3 h对称的空心笼. Ln（3）B（18）（-）笼中的B-18-骨架可以被视为由两个三角形B-6基序通过三个B-2单元连接组成，形成三个共享的B-10环，其与笼表面上的三个Ln原子配位。这些金属硼球烯代表了一种新的不寻常的几何形状，迄今为止还没有在化学中观察到。
The discovery of borospherenes unveiled the capacity of boron to form fullerene-like cage structures. While fullerenes are known to entrap metal atoms to form endohedral metallofullerenes, few metal atoms have been observed to be part of the fullerene cages. Here we report the observation of a class of remarkable metallo-borospherenes, where metal atoms are integral parts of the cage surface. We have produced La3B18- and Tb3B18- and probed their structures and bonding using photoelectron spectroscopy and theoretical calculations. Global minimum searches revealed that the most stable structures of Ln(3)B(18)(-) are hollow cages with D-3h symmetry. The B-18-framework in the Ln(3)B(18)(-) cages can be viewed as consisting of two triangular B-6 motifs connected by three B-2 units, forming three shared B-10 rings which are coordinated to the three Ln atoms on the cage surface. These metallo-borospherenes represent a new class of unusual geometry that has not been observed in chemistry heretofore.