Synthesis, characterization and theoretical studies of two mononuclear Ag(І) and Pd(П) complexes of apyridiniumylide

Ylides behave as good ligands toward transition metals owing tothe charge density centered on the ylidiccarbon [1]. The majorpart of the reported ylide−metal complexes concerns ylides inwhich the heteroatoms are P, S, or N and the metals belong tothe middle or late transition metals. Pyridiniumylides showinteresting characteristics due to their appreciable stability,quite exceptional for nitrogen ylides, which is attributed to the delocalization of the charge on the heterocycle [2].Following our interest in Ag(I) and Pd(II) complexes of ylides [3],inthe present work,the reaction ofpyridiniumylidePhC(O)PyCHO2CCH2Phwith AgNO3salt anddichloro(1,5-cyclooctadiene)-palladium(II) complexin methanolandin a 1:1 mole ratioled to the formation of two new mononuclear metal complexes. Characterization of theobtained compounds was performed by elemental analysis and IR, 1H, and 13C NMR spectroscopic methods.The structures of resulting mononuclear complexes were studied at bp86/def2-TZVP level of theory using Gaussian09 set of programs. The nature of ylide-metal bond in both complexes was also investigated at bp86-D3/TZ2P level of theory using ADF program.