Journal of Physical Chemistry A, Vol.109, No.18, 4133-4136, 2005
C-2h (BnEmSi)(2)H-2 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)(2)H-2 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.