Crystal Structure and Infrared Spectroscopy of Bis(2-hydrazinopyridine)palladium(II) Chloride and its Isotopomers

Abstract

Two forms of [Pd(hypy)2]Cl2 complex have been prepared. The reaction of PdCl2 with 2-hydrazinopyridine (hypy) ligand carried out in DMF solution produces the title complex 1, whereas its recrystallization from methanol gives [Pd(hypy)2]Cl2·2MeOH 2. The latter compound was the subject of full, single-crystal X-ray analysis, which revealed the planar structure of the metal vicinity and trans-orientation of the ligands, chelating the metal through amine and pyridine nitrogen atoms. The vibrations of the complex cation [Pd(hypy)2]2+ were investigated using IR spectroscopy and DFT modelling employing the B3LYP functional and LanL2DZ basis set. The vibrations of the hydrazine moiety and palladium(ii) environment, detected by N-deuteration and 104Pd/110Pd stable isotope labelling, were also reproduced in the calculations.