Original phenyl–P(O) bond cleavage at palladium(0): a combined experimental and computational study†,10.1039/C1CC12477C

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

Eric J. Derrah,Sonia Ladeira,Ghenwa Bouhadir,Karinne Miqueu,Didier Bourissou

Chemical Communications Pub Date : 06/29/2011 00:00:00 , DOI:10.1039/C1CC12477C

Abstract

The reaction of the diphosphine–phosphine oxide ligand {[o-iPr₂P-(C₆H₄)]₂P(O)Ph} with Pd(PtBu₃)₂ proceeds with cleavage of the Ph–P(O) bond to give an original κ^P,P(O),P-pincer complex. According to DFT calculations, this oxidative addition occurs via a three-center P,C_ipso,Pd transition state.