Palladium(II) complexes with R-2 edda-derived ligands

Abstract

Four palladium(II) complexes with R-2 edda ligands, dichlorido(O,O-dialkylethylenediamine-N,N'-diacetate)palladium(II) monohydrates, [PdCl2(R(2)edda)].H2O, R=Me, Et, n-Pr, i-Bu, and the new ligand precursor i-Bu(2)edda.2HCl.H2O, O,O-diisobutylethylenediamine-N,N'-diacetate dihydrochloride monohydrate, were synthesized and characterized by IR, H-1 and C-13 NMR spectroscopy, and elemental analysis. DFT calculations were performed for the palladium(II) complexes and a high possibility for isomer formation due to stereogenic N ligand atoms was confirmed. Moreover, DFT simulations revealed energetic profile of isomer formation. Computational outcomes are in agreement with spectroscopic instrumental findings, both strongly indicating a non-stereoselective reaction between selected esters and K-2[PdCl4], forming isomers. [GRAPHICS]