Coordination Chemistry, Spectral, and Structural Characterizations of Mercury (II) Complexes with a New Phosphorus Ylide and Confirmation Ylide Reactive Site Toward Interaction with Metal Atom by Computational Methods

The reaction of 2-bromo-1-(3-nitrophenyl) ethan-1-one with (tri-p-tolylphosphane) in acetone as solvent was led to effective ylide of 1-(3-nitrophenyl)-2-(tri-p-tolyl- λ5-phosphanylidene) ethan -1- one (NTPPY) (1). Then binuclear complexes of the type [HgX2 (ptolyl)3PCHCOC6H4NO2)] (X = Cl, Br and I), were prepared by the reaction of title ylide with mercury (II) halides in equimolar ratios, using dry methanol as solvent. The final products were characterized by IR, 1H, 13C, 31P NMR spectroscopic methods. The solid-state structure of (1) was established by X-ray crystallography analysis. Computational studies at DFT (B3LYP/6-31G*) level of theory were used to confirm ylide reactive site.