The mechanism of the replacement of aluminum atoms in 1-ethyl-3-alkylalumolanes by boron atoms with boron halides

Abstract

In this study, the mechanism of the replacement reaction of an aluminum atom by a boron atom in the 1-ethyl-3-substituted alumolanes with boron halides is proposed. Theoretical and experimental justifications based on the DFT quantum chemical calculations of the energy parameters of possible reaction routes coupled with monitoring of the reaction between 1-ethyl-3-butylalumolane and BF₃·Et₂O, BCl₃ and BBr₃ using ¹H, ¹³C, ¹¹B and ²⁷Al NMR spectroscopy are provided.