Elucidating the mechanism and regioselectivity of phosphine-catalyzed transformation of MBH carbonate
Juan Ye, Yilu Luo, Gailing Huang, Yang Wang
Abstract
A general mechanistic map of the PPh 3 -catalyzed transformation reaction of MBH carbonate has been theoretically studied and the NCI and ELF analyses are performed to disclose the origins of selectivities and the role of catalyst, respectively.
Topics & Concepts
ChemistryPhosphineCatalysisRegioselectivityCarbonateTransformation (genetics)Mechanism (biology)Combinatorial chemistryOrganic chemistryBiochemistryGeneEpistemologyPhilosophyCarbon dioxide utilization in catalysisAsymmetric Hydrogenation and CatalysisN-Heterocyclic Carbenes in Organic and Inorganic Chemistry