Fluoro-silicon (FSi) interaction as a promising force for the formation of thermodynamically stabilized Brook-type silabenzene: A quantum chemical approach

The effect of intramolecular fluoro-silicon interaction on the formation of Brook-type silabenzene was studied by the help of DFT. The M06-2X calculations reveal that fluoro-silicon interaction makes the transition state more stable and hence decreases the energy of activation for the formation of silabenzene. The hydrogen bonding decreases the stability of transition state and hence increases the energy of activation for the formation of silabenzene. The fluoro-silicon interaction helps in the stabilization of transition state.