Journal of the American Chemical Society, Vol.132, No.34, 11872-11874, 2010
Experimental and Computational Study of a Direct O-2-Coupled Wacker Oxidation: Water Dependence in the Absence of Cu Salts
The kinetics of the Pd[(-)-sparteine]Cl-2 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.