Synthesis, structural and theoretical studies of Pd(II) complexes containing an orthometallated C,C-chelating phosphorus ylide

The reaction of dinuclear halide-bridged C,C-orthometallated complexes of [Ph3PCHC(O)C6H4-NO2-4] with monodentate P- and N-donor ligands is reported. The reaction is selective in the case of P-ligands, whilst in the case of N-donors two isomers were detected in only one case. ΔGcis-trans and molecular parameters of the cis and trans isomers of two mononuclear complexes were studied theoretically by DFT calculations.