Perfect Core-Shell Octahedral B@B38 + , Be@B38 , and Zn@B38 with an Octa-Coordinate Center as Superatoms Following the Octet Rule

Qiao-Qiao Yan; XiaoYun Zhao; Ting Zhang; Si-Dian Li

doi:10.1002/cphc.202300222

Perfect Core-Shell Octahedral B@B₃₈ ⁺ , Be@B₃₈ , and Zn@B₃₈ with an Octa-Coordinate Center as Superatoms Following the Octet Rule

Chemphyschem. 2023 May 2;24(9):e202300222. doi: 10.1002/cphc.202300222.

Authors

Qiao-Qiao Yan¹, XiaoYun Zhao², Ting Zhang¹, Si-Dian Li¹

Affiliations

¹ Institute of Molecular Science, Shanxi University, 030006, Taiyuan, China.
² Department ofApplied Chemistry, Yuncheng University, 044000, Yuncheng, China.

PMID: 37129295
DOI: 10.1002/cphc.202300222

Abstract

The front cover artwork is provided by Prof. Si-Dian Li's group at Shanxi University, China. The image shows the smallest perfect core-shell octahedral borospherene O_h B@B₃₈ ⁺ and its endohedral metallo-borospherene analogs O_h Be@B₃₈ and O_h Zn@B₃₈ obtained at first-principles theory. Read the full text of the Research Article at 10.1002/cphc.202200947.