title: Origin of thermodynamic versus kinetic control of allene hydroboration with 9-borabicyclo[3.3.1]nonane and 10(R)-trimethylsilyl-9-borabicyclo[3.3.2]decane.
abstract: Density functional theory was used to locate transition states for hydroboration reactions of allenes with 9-borabicyclo[3.3.1]nonane and 10-R-9-borabicyclo[3.3.2]decane, as well as transition states for [1,3]-boratropic shift and aldehyde addition reactions of the derived allylboranes. The origin of kinetic versus thermodynamic control in the allene hydroboration step is described.
authors.affiliation: Department of Chemistry, The Scripps Research Institute, Jupiter, Florida 33458, USA. daniel@scripps.edu
authors.forename: Daniel H
authors.initials: DH
authors.lastname: Ess
authors.forename: Jeremy
authors.initials: J
authors.lastname: Kister
authors.forename: Ming
authors.initials: M
authors.lastname: Chen
authors.forename: William R
authors.initials: WR
authors.lastname: Roush
mesh_terms: D000466:Alkadienes / Q000737:chemistry*; D000473:Alkanes / Q000737:chemistry*; D001896:Boron Compounds / Q000737:chemistry*; D007700:Kinetics; D015394:Molecular Structure; D013816:Thermodynamics
chemical_list: D000466:Alkadienes; D000473:Alkanes; D001896:Boron Compounds; C025947:propadiene; C012867:decane; C017573:nonane