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

摘要

The reaction of the diphosphine-phosphine oxide ligand {[o-iPr_2P-(C_6H_4)]_2P(O)Ph} with Pd(P*Bu_3)_2 proceeds with cleavage of the Ph-P(O) bond to give an original K~(P,P(O),P)-pincer complex. According to DFT calculations, this oxidative addition occurs via a three-center P,C_(ipso),Pd transition state.