D      4h   OMg4S42−: a global minimum featuring a planar tetracoordinate oxygen

Rui Sun; Xiao-Ling Guan; Xin Wu; Caixia Yuan; Yan-Bo Wu

doi:10.1039/D5DT00740B

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D_4h OMg₄S₄²⁻: a global minimum featuring a planar tetracoordinate oxygen†

Rui Sun,

*^ab Xiao-Ling Guan,^b Xin Wu,^a Caixia Yuan

*^b and Yan-Bo Wu

*^b

Author affiliations

* Corresponding authors

^a Basic Teaching Department, Shanxi Agricultural University, 1 Mingxian South Road, Taigu, Shanxi, People's Republic of China
E-mail: sunrui@sxau.edu.cn

^b 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, People's Republic of China
E-mail: wyb@sxu.edu.cn, cxyuan@sxu.edu.cn

Abstract

Planar hypercoordinate oxygen clusters have remained challenging due to oxygen's high electronegativity and versatile bonding capabilities. Herein, OMg₄S₄²⁻, a dynamically stable global minimum with a planar tetracoordinate oxygen, is designed theoretically. Its planar configuration is dominated by electrostatic interactions rather than covalent interactions.

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Article information

DOI: https://doi.org/10.1039/D5DT00740B
Article type: Communication
Submitted: 27 Mar 2025
Accepted: 29 May 2025
First published: 05 Jun 2025

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Dalton Trans., 2025, Advance Article

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D _4h OMg₄S₄²⁻: a global minimum featuring a planar tetracoordinate oxygen

R. Sun, X. Guan, X. Wu, C. Yuan and Y. Wu, Dalton Trans., 2025, Advance Article , DOI: 10.1039/D5DT00740B

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