title: Computational investigation of the role of fluoride in Tamao oxidations.
abstract: The Tamao oxidation of alkoxysilanes was investigated computationally to determine the role of fluoride, a key additive, in this reaction. A sequence of fluoride equilibria as well as possible transition states, mediated by basic and neutral peroxide, respectively, were examined, and a potential energy surface was calculated which was consistent with the typical synthetic methods required for the conversion of alkoxysilanes to alcohols.
authors.affiliation: Department of Chemistry, Grinnell College, IA 50112, USA. mader_mary@lilly.com
authors.forename: Mary M
authors.initials: MM
authors.lastname: Mader
authors.forename: Per-Ola
authors.initials: PO
authors.lastname: Norrby
mesh_terms: D002626:Chemistry, Pharmaceutical / Q000379:methods; D005459:Fluorides / Q000737:chemistry*; D008958:Models, Molecular; D010084:Oxidation-Reduction; D012821:Silanes / Q000737:chemistry*
chemical_list: D012821:Silanes; D005459:Fluorides