C2h (BnEmSi)2H2 molecules (E = B, C, Si; n = 3-6; m = 1, 2) containing double planar tetra-, penta-, and hexacoordinate silicons.
A density functional theory investigation on a series of S-shaped or cyclic (BnEmSi)2H2 molecules (E = B, C, Si; n = 3-6; m = 1, 2) containing double planar tetra-, penta-, and hexacoordinate silicons has been presented in this work. Further theoretical evidence is provided to support the previously proposed structural pattern to host planar hypercoordinate silicons in small aromatic molecules.
Li
Si-Dian
SD
Institute of Materials Sciences and Department of Chemistry, Xinzhou Teachers' University, Xinzhou 034000, Shanxi, People's Republic of China.
Guo
Jin-Chang
JC
Miao
Chang-Qing
CQ
Ren
Guang-Ming
GM