Issue 15, 2022
From the journal:

Chemical Communications

Planar pentacoordinate carbon in a sulphur-surrounded boron wheel: the global minimum of CB5S5+†

Rui Sun,ab   Bo Jin,a   Bin Huo,a   Caixia Yuan, ORCID logo a   Hua-Jin Zhai ORCID logo *ab  and  Yan-Bo Wu ORCID logo *a  

* Corresponding authors

a The Key Laboratory of the Materials for Energy Conversion and Storage of Shanxi Province, Institute of Molecular Science, Shanxi University, 92 Wucheng Road, Taiyuan, Shanxi, P. R. China
E-mail: wyb@sxu.edu.cn

b Nanocluster Laboratory, Institute of Molecular Science, Shanxi University, 92 Wucheng Road, Taiyuan, Shanxi, P. R. China
E-mail: hj.zhai@sxu.edu.cn

Abstract

We report a σ + π double aromatic CB5S5+ cluster, the first global minimum unusually having a planar hypercoordinate carbon inside a boron wheel. Five peripheral sulfur atoms stabilize the carbon-centered boron wheel by weakening the electron deficiency of the boron atoms through strong S → B π back-bonding.

Graphical abstract: Planar pentacoordinate carbon in a sulphur-surrounded boron wheel: the global minimum of CB5S5+

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Article information

DOI
https://doi.org/10.1039/D1CC07313C
Article type
Communication
Submitted
31 Dec 2021
Accepted
24 Jan 2022
First published
25 Jan 2022

Chem. Commun., 2022,58, 2552-2555

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Planar pentacoordinate carbon in a sulphur-surrounded boron wheel: the global minimum of CB5S5+

R. Sun, B. Jin, B. Huo, C. Yuan, H. Zhai and Y. Wu, Chem. Commun., 2022, 58, 2552 DOI: 10.1039/D1CC07313C

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