Application In Synthesis of Bis(norbornadiene)rhodium (I) tetrafluoroborate. The protonation of heteroatoms in aromatic heterocycles can be divided into two categories: lone pairs of electrons are in the aromatic ring conjugated system; and lone pairs of electrons do not participate. Compound: Bis(norbornadiene)rhodium (I) tetrafluoroborate, is researched, Molecular C14H8BF4Rh, CAS is 36620-11-8, about Investigation of the rhodium-catalyzed hydroboration of NHC-boranes: the role of alkene coordination and the origin of enantioselectivity. Author is Nava, Paola; Toure, Momar; Abdou Mohamed, Amel; Parrain, Jean-Luc; Chuzel, Olivier.
The mechanism of the intramol. enantioselective rhodium(I)-catalyzed hydroboration of NHC-boranes is investigated by exptl. reactivity measurements and mol. electronic structure calculations, within the framework of the D. Functional Theory and the RPA methods. The crucial role of alkene coordination and the origin of enantioselectivity are discussed. Two possible mechanisms are considered, via either prior hydride migratory insertion or boron migratory insertion. The min. energy computed pathway leads to the enantiomer exptl. observed, therefore supporting the hydride migratory insertion mechanism. Calculations of the final steps of the catalytic cycle, i.e. regeneration of the catalyst and release of the product, give us further insights into the mechanism and rationalize the exptl. results.
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