Planar pentacoordinate silicon and germanium atoms

Meng-Hui Wang; Xue Dong; Zhong-Hua Cui; Mesías Orozco-Ic; Yi-Hong Ding; Jorge Barroso; Gabriel Merino

doi:10.1039/d0cc06107g

Planar pentacoordinate silicon and germanium atoms

Chem Commun (Camb). 2020 Nov 18;56(89):13772-13775. doi: 10.1039/d0cc06107g. Epub 2020 Oct 22.

Authors

Meng-Hui Wang¹, Xue Dong, Zhong-Hua Cui, Mesías Orozco-Ic, Yi-Hong Ding, Jorge Barroso, Gabriel Merino

Affiliation

¹ Institute of Atomic and Molecular Physics, Key Laboratory of Physics and Technology for Advanced Batteries (Ministry of Education), Jilin University, Changchun 130012, China. zcui@jlu.edu.cn.

PMID: 33089264
DOI: 10.1039/d0cc06107g

Abstract

The global minimum of XMg₄Y^- (X = Si, Ge; Y = In, Tl) and SiMg₃In₂ contains a planar pentacoordinate atom of group 14 other than carbon. Its design is based on the "localization" approach, replacing one or two peripheral atoms in XMg₅^2- by more electronegative ones. This change diminishes the repulsion and leads to stronger covalent X-Y bonds, stabilizing the planar pentacoordinate atom species.