Experimental and Computational Study of a Direct O2-Coupled Wacker Oxidation: Water Dependence in the Absence of Cu Salts
journal contributionposted on 2010-09-01, 00:00 authored by Brian J. Anderson, John A. Keith, Matthew S. Sigman
The kinetics of the Pd[(−)-sparteine]Cl2 catalyzed oxidation of decene using oxygen as the sole oxidant have been studied in the absence of copper salts and high [Cl−]. Saturation kinetics are observed for [decene] as well as a third order dependence on [water]. A mechanism is proposed involving the dissociation of two chlorides and rate-limiting formation of a three-water hydrogen bridged network and subsequent oxypalladation as supported by computational studies.