title: Catalytic Ketone Hydrodeoxygenation Mediated by Highly Electrophilic Phosphonium Cations.
abstract: Ketones are efficiently deoxygenated in the presence of silane using highly electrophilic phosphonium cation (EPC) salts as catalysts, thus affording the corresponding alkane and siloxane. The influence of distinct substitution patterns on the catalytic effectiveness of several EPCs was evaluated. The deoxygenation mechanism was probed by DFT methods.
authors.affiliation: Department of Chemistry, University of Toronto, 80 St. George St, Toronto Ontario M5S 3H6 (Canada).
authors.forename: Meera
authors.initials: M
authors.lastname: Mehta
authors.affiliation: Department of Chemistry, University of Toronto, 80 St. George St, Toronto Ontario M5S 3H6 (Canada).
authors.forename: Michael H
authors.initials: MH
authors.lastname: Holthausen
authors.affiliation: Department of Chemistry, University of Toronto, 80 St. George St, Toronto Ontario M5S 3H6 (Canada).
authors.forename: Ian
authors.initials: I
authors.lastname: Mallov
authors.affiliation: Department of Chemistry, University of Toronto, 80 St. George St, Toronto Ontario M5S 3H6 (Canada).
authors.forename: Manuel
authors.initials: M
authors.lastname: Pérez
authors.affiliation: Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Beringstrasse 4, 53115 Bonn (Germany).
authors.forename: Zheng-Wang
authors.initials: ZW
authors.lastname: Qu
authors.affiliation: Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Beringstrasse 4, 53115 Bonn (Germany).
authors.forename: Stefan
authors.initials: S
authors.lastname: Grimme
authors.affiliation: Department of Chemistry, University of Toronto, 80 St. George St, Toronto Ontario M5S 3H6 (Canada). dstephan@chem.utoronto.ca.
authors.forename: Douglas W
authors.initials: DW
authors.lastname: Stephan
keywords: Lewis acids; density functional calculations; hydrosilylation; phosphorus; synthetic methods