Dehydrogenative Boron Homocoupling of an Amine‐Borane

Abstract

A meeting of borons: The homocoupling of a BB bond in an amine-borane is reported to give a diborane coordinated to a RhI metal center (see picture; C gray/black, O red, P blue, B green, N orange). The pathway for the occurrence of this reaction was also studied using density functional theory to calculate the free energies of each intermediate.