“Computational Study of Dihydrogen Activation and Hydrogenation by Pyramidalized Boron Frustrated Lewis Pairs Using Density Functional Theory and Activation Strain Model”

https://pubmed.ncbi.nlm.nih.gov/38117941

This computational study uses density functional theory and the activation strain model to explore the pathways for dihydrogen activation and hydrogenation of multiple bonds by pyramidalized boron-based frustrated Lewis Pairs, finding a synchronized, asynchronous liberation of activated dihydrogen and a co-operative double hydrogen-transfer mechanism.