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

Authors :
Sun, Rui
Jin, Bo
Huo, Bin
Yuan, Caixia
Zhai, Hua-Jin
Wu, Yan-Bo
Source :
Chemical Communications; 2/21/2022, Vol. 58 Issue 15, p2552-2555, 4p
Publication Year :
2022

Abstract

We report a σ + π double aromatic CB<subscript>5</subscript>S<subscript>5</subscript><superscript>+</superscript> 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. [ABSTRACT FROM AUTHOR]

Subjects

Subjects :
CARBON
WHEELS
SULFUR
ATOMS
ELECTRONS

Details

Language :
English
ISSN :
13597345
Volume :
58
Issue :
15
Database :
Complementary Index
Journal :
Chemical Communications
Publication Type :
Academic Journal
Accession number :
155317092
Full Text :
https://doi.org/10.1039/d1cc07313c