Hydrogen Activation by Frustrated and Not So Frustrated Lewis Pairs Based on Pyramidal Lewis Acid 9-Boratriptycene: A Computational Study
Anna V. Pomogaeva, Alexey Y. Timoshkin
Abstract
, which is predicted to provide both low activation energy and thermodynamic reversibility of the heterolytic hydrogen splitting process. It appears that such "not so frustrated" or "latent" FLPs are the best candidates for reversible heterolytic hydrogen splitting.
Topics & Concepts
HeterolysisFrustrated Lewis pairExergonic reactionLewis acids and basesChemistryReactivity (psychology)Hydrogen bondAcceptorHydrogenStereochemistryCrystallographyMoleculeCatalysisOrganic chemistryPhysicsPathologyCondensed matter physicsMedicineAlternative medicineOrganoboron and organosilicon chemistrySynthesis and characterization of novel inorganic/organometallic compoundsCrystallography and molecular interactions