Bare and ligand protected planar hexacoordinate silicon in SiSb<sub>3</sub>M<sub>3</sub><sup>+</sup> (M = Ca, Sr, Ba) clusters
Chen Chen, Menghui Wang, Lin‐Yan Feng, Lian-Qing Zhao, Jin‐Chang Guo, Hua‐Jin Zhai, Zhong‐hua Cui, Sudip Pan, Gabriel Merino
Abstract
The global minimum of SiSb 3 M 3 + (M = Ca, Sr, Ba) is a D 3h symmetric structure containing an elusive planar hexacoordinate silicon (phSi) atom. Most importantly, the phSi core remains intact in ligand protected environment as well.
Topics & Concepts
HexacoordinateSiliconLigand (biochemistry)CrystallographyPlanarChemistryPhysicsComputer scienceOrganic chemistryOperating systemReceptorBiochemistry2D Materials and ApplicationsSemiconductor materials and interfacesInorganic Chemistry and Materials