Design of a Novel Series of Hetero-Binuclear Superhalogen Anions MM′X4− (M = Li, Na; M′ = Be, Mg, Ca; X = Cl, Br)

Design of a Novel Series of Hetero-Binuclear Superhalogen Anions MM′X4− (M = Li, Na; M′ = Be, Mg, Ca; X = Cl, Br)

A series of hetero-binuclear superatom motifs involving chloride/bromide ligands, that is, MM′X4− (M = Li, Na; M′ = Be, Mg, Ca; X = Cl, Br) anions, have been characterized by using many-body perturbation theory calculations. Large vertical electron detachment energies (VDEs, 5.470–6.799 eV) confirm...

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Bibliographic Details
Main Authors: Hui Yang, Hui-Min He, Ning Li, Shang Jiang, Min-Jun Pang, Ying Li, Jian-Guo Zhao
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-07-01
Series:Frontiers in Chemistry
Subjects:
superhalogen
chloride or bromine ligands
binuclear
vertical electron detachment energy
theoretical calculation
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2022.936936/full

Internet

https://www.frontiersin.org/articles/10.3389/fchem.2022.936936/full

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