An ab initio theoretical study of BF3, BCl3 and BBr3 has been carried out at different levels of calculation in order to interpret the experimental Lewis acidity scale of these molecules. The results obtained show that the increase in acidity when going from BF3 to BBr3 can be understood in terms of the electron affinity and of the nature of the boron-halogen bond. © 1991.
|Journal||J. Mol. Struct. Theochem|
|Publication status||Published - 1 Nov 1991|