Structural and spectroscopic studies of Au(III) and Pd(II) chloride complexes and organometallics with 2-benzylpyridine

Au(III) and Pd(II) chloride complexes with 2-benzylpyridine (2bzpy) – [Au(2bzpy)Cl3] and trans-[Pd(2bzpy)2Cl2], as well as Au(III) chloride organometallics with monoanionic form of 2bzpy, deprotonated in the benzyl side group at the ortho-carbon C(2′) (2bzpy*) – [Au(2bzpy*)Cl2], were studied by 1H, 13C and 15N NMR. 1H, 13C and 15N coordination shifts (i.e. differences of chemical shifts for the same atom in the complex and ligand molecules) were discussed in relation to the molecular structures and the coordination modes, as well as to the factors influencing nuclear shielding. Analogous NMR measurements were performed for the new (2bzpyH)[AuCl4] salt, studied also by single crystal X-ray diffraction.

► Au(III)/Pd(II) complexes/organometallics with 2-benzylpyridine were studied by NMR. ► Nitrogen metallation in 2-benzylpyridine results in 15N shielding and 1H deshielding. ► 2bzpyH+ [AuCl4]- ionic pair was studied by single crystal X-ray diffraction.