The boron trifluoride – base system: application of the coordination model of reaction mechanisms

Abstract

The mechanism of reaction of boron trifluoride with amines, dialkyl ethers, and pyridine has been analyzed on the basis of the coordination model of reaction mechanisms. This model is tested mathematically by carrying out kinetic simulations of pathways P(X,C), accompanied by the calculation of structures of postulated intermediates by GAUSSIAN86 methods. Analyses of reaction mechanisms, including calculation of concentration vs. time curves, are reported for the following systems: NH3–BF3, MeNH2–BF3, Me2O–Et2O–BF3, Me2O–Et2O:BF3, pyridine–BF3, pyridine–Me3N–BF3, F3B:N–N:BF3, and (N–N)BF2+.