High electron affinity triggered by lithium coordination: quasi-chalcogen properties of Li2Sn8Be

Duomei Xue; Zeren Chen; Jingyao Liu; Di Wu; Zhiru Li; Ying Li

doi:10.1039/D2CP00967F

High electron affinity triggered by lithium coordination: quasi-chalcogen properties of Li₂Sn₈Be†

Duomei Xue,

^a Zeren Chen,^b Jingyao Liu,

^a Di Wu,

^a Zhiru Li

^a and Ying Li

*^a

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* Corresponding authors

^a Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130023, P. R. China
E-mail: liyingedu@jlu.edu.cn

^b School of Mechanical and Aerospace Engineering, Jilin University, Changchun 130025, P. R. China

Abstract

This work puts forward an unusual but rational strategy to design superatoms mimicking the properties of group via elements. A new dianion with closo-configuration, namely Li₂Sn₈Be²⁻, has been obtained by decorating endohedral Zintl ion Sn₈Be⁴⁻ with two Li ligands. Its neutral counterpart, namely Li₂Sn₈Be, exhibits a high electron affinity of 2.526 eV, which not only exceeds that of the Sn₈Be cluster but is higher than those of chalcogen elements. Li₂Sn₈Be has the potential to form stable ionic compounds with lithium, calcium, and even superalkali and superalkali-earth-metal atoms, and has an oxidation state of −2 therein. Besides, compound analogues of CO, O₂²⁻, H₂O₂, and Li₂O₂ can also be obtained with Li₂Sn₈Be serving as the building block. The striking resemblance between Li₂Sn₈Be and oxygen-group elements not only qualifies it for membership of the superatom family, but further collaborates the theoretical framework of the “three-dimensional periodic table”.

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DOI: https://doi.org/10.1039/D2CP00967F
Article type: Paper
Submitted: 27 Feb 2022
Accepted: 13 Apr 2022
First published: 14 Apr 2022

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Phys. Chem. Chem. Phys., 2022,24, 10611-10621

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High electron affinity triggered by lithium coordination: quasi-chalcogen properties of Li₂Sn₈Be

D. Xue, Z. Chen, J. Liu, D. Wu, Z. Li and Y. Li, Phys. Chem. Chem. Phys., 2022, 24, 10611 DOI: 10.1039/D2CP00967F

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Physical Chemistry Chemical Physics

High electron affinity triggered by lithium coordination: quasi-chalcogen properties of Li₂Sn₈Be†

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High electron affinity triggered by lithium coordination: quasi-chalcogen properties of Li₂Sn₈Be

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Physical Chemistry Chemical Physics