Theoretical studies on Lewis acidity scale and bonding character of boron trihalides BX3(X=F, C1, Br, I) by DV-Xα quantum chemical approach
Abstract
The Lewis acidity scale of boron trihalides BX3 (X=F, C1, Br, I) and character of the boron-halogen bonds have been studied by means of DV-Xm approach. Present results show that the acid strength of boron trihalides increases in the order BF3<BCl3<BBr3<BI3, in excellent agreement with experiments. Based on boron-halogen bonding character, the valence of boron atom in boron compounds can be considered M equal to five instead of three which seems to be more reasonable.