Spherical trihedral metallo-borospherenes

被引：68

作者：

Chen, Teng-Teng ^{[1
]}

Li, Wan-Lu ^{[2
,3
]}

Chen, Wei-Jia ^{[1
]}

Yu, Xiao-Hu ^{[4
]}

Dong, Xin-Ran ^{[5
]}

Li, Jun ^{[2
,3
,5
]}

Wang, Lai-Sheng ^{[1
]}

机构：

[1] Brown Univ, Dept Chem, Providence, RI 02912 USA

[2] Tsinghua Univ, Minist Educ, Dept Chem, Beijing 100084, Peoples R China

[3] Tsinghua Univ, Minist Educ, Key Lab Organ Optoelect & Mol Engn, Beijing 100084, Peoples R China

[4] Shaanxi Univ Technol, Sch Chem & Environm Sci, Shaanxi Key Lab Catalysis, Inst Theoret & Computat Chem, Hanzhong 723000, Peoples R China

[5] Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China

来源：

NATURE COMMUNICATIONS | 2020年 / 11卷 / 01期

基金：

美国国家科学基金会; 中国国家自然科学基金;

关键词：

BORON CLUSTERS; BASIS-SETS; BOROPHENES; AROMATICITY; VALENCE; RINGS;

D O I：

10.1038/s41467-020-16532-x

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

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.

引用

页数：8

共 58 条

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