Synthesis, crystal structure and VT-NMR study of cis-[PdCl2(CNC6H3Me2-2,6)(PPh3)]

The complex cis-[PdCl2(CNC6H3Me2-2,6)(PPh3)] has been prepared and fully characterized. Its crystal structure has been determined showing the chloro ligands in cis-disposition. A VT-NMR study shows this complex to be in equilibrium with trans-[PdCl2(PPh3)2] and cis-[PdCl2(CNC6H3Me2-2,6)2]. The equilibrium is fast at room temperature but at −50 °C all three species are observed in solution in 10:1:1 M ratio. The activation parameters for this equilibrium have been calculated.

Graphical abstractThe mixed ligand complex 1 was one-pot synthesized from equimolar amounts of PdCl2, XyNC and PPh3. A VT multinuclcar NMR study showed the ligand rearrangement equilibrium 2·1 ⇆⇆ 2 + 3 for which the activation parameters were calculated.Figure optionsDownload full-size imageDownload as PowerPoint slideHighlights► One-pot, atom-efficient synthesis of a mixed ligand Pd(II) complex. ► Unprecedented rearrangement equilibrium in a mixed ligand Pd(II) complex. ► Activation parameters determined by means of a VT-NMR study.