Stabilization of Planar Four-Coordinate Boron,Carbon, and Silicon Atoms in Borane Clusters: A Quantum-Chemical Study

Stability of a series of neutral and charged borane clusters containing planar four-coordinate boron centres was predicted by the density functional theory DFT (B3LYP/6-311+G**). The possibility of the modification of these systems to obtain new stable compounds with planar four-coordinate carbon and silicon atoms was examined. The calculations show that the substituted systems should be more stable than the isoelectronic boron analogs.