Journal of the American Chemical Society · 2020 · 74 citations · 65 references
Natural SciencesChemistryCatalysisOrganometallic ChemistrySolid-state ChemistryCatalytic MaterialsCatalytic MechanismsAlkyne FunctionalizationBorylation ReactionsControl ExperimentsHydroboration Of AlkynesMild Reaction ConditionsReactivityStereoselectivity
in the coplanar relationship between the boron atom and the ruthenacyclopropene ring preceding boron migration is responsible for the new reactivity. Control experiments and DFT (including molecular dynamics) calculations provided important insights into the mechanism, which excluded the involvement of a metal vinylidene intermediate. This study represents a new step forward not only for alkyne hydroboration but also for other geminal additions of alkynes.
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Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text
Natural Sciences, Chemistry, Physics +17
Consistent van der Waals Radii for the Whole Main Group
Manjeera Mantina, Adam Chamberlin, Rosendo Valero et al. · The Journal of Physical Chemistry A · 2009 · 1.8K citations · Full text
Natural Sciences, Chemistry, Physics +17