X-ray and vibrational studies on novel palladium(II) complex with 2-hydrazino-2-imidazoline

The reaction of PdBr2 and the 2-hydrazino-2-imidazoline (hi) hydrobromide in H2O-dmf solution yielded the [Pd(hi)2]Br2 crystals suitable for X-ray analysis. The complex cation shows the quasi-planar, centrosymmetric structure with hi acting as bidentate chelating ligand offering the NH2 and imidazoline nitrogen atoms for metal bonding. The structure of the complex is reflected in vibrational spectra where metalligand bands were localized by 104Pd-110Pd substitution and N-deuteration. Both isotope effects were reproduced in density functional calculations (DFT) supporting the theoretical band assignment presented in terms of potential energy distribution.