Original phenyl-P(O) bond cleavage at palladium(0): a combined experimental and computational study

The reaction of the diphosphine-phosphine oxide ligand {[o-iPr(2)P-(C(6)H(4))](2)P(O)Ph} with Pd(PtBu(3))(2) proceeds with cleavage of the Ph-P(O) bond to give an original kappa(P,P(O),P)-pincer complex. According to DFT calculations, this oxidative addition occurs via a three-center P,C(ipso),Pd transition state.