Phosphine-borane complexes have long been an important motif in synthetic and coordination chemistry. These complexes are widely used as a protecting group strategy to prevent the oxidation of reactive phosphines by air or water. However, the nature of this phosphine-borane bond has not been fully explored. Presented here are the results of a computational (DFT) study in which we have examined the orbital composition and bond strength of phosphine-borane complexes using series of aryl phosphine/BH<sub>3</sub> complexes and aryl borane/PH<sub>3</sub> complexes of systematically varied electron richness.

DFT study of phosphine-borane bonds: Exploring electronic effects

249th National Meeting (2015)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.