Palladium(II) complexes with R2edda-derived ligands |
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| Authors: | Goran N. Kaluđerović Esther Hernández-Corroto Wolfgang Brandt Bojana B. Zmejkovski Santiago Gómez-Ruiz |
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| Affiliation: | 1. Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle, Germanygoran.kaluderovic@ipb-halle.de;3. Departamento de Biología y Geología, Física y Química Inorgánica, E.S.C.E.T., Universidad Rey Juan Carlos, Móstoles, Spain;4. Department of Bioorganic Chemistry, Leibniz Institute of Plant Biochemistry, Halle, Germany;5. Department of Chemistry, Institute of Chemistry, Technology and Metallurgy, University of Belgrade, Belgrade, Serbia |
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| Abstract: | Four palladium(II) complexes with R2edda ligands, dichlorido(O,O′-dialkylethylenediamine-N,N′-diacetate)palladium(II) monohydrates, [PdCl2(R2edda)]?H2O, R = Me, Et, n-Pr, i-Bu, and the new ligand precursor i-Bu2edda?2HCl?H2O, O,O′-diisobutylethylenediamine-N,N′-diacetate dihydrochloride monohydrate, were synthesized and characterized by IR, 1H and 13C 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 K2[PdCl4], forming isomers. |
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| Keywords: | Palladium(II) complexes R2edda ligands diastereoisomers DFT |
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