A library of 12 palladium(II) complexes of the type [PdBr(Pr-bimy)(L∧X)] comprising 10 dithiocarbamato (RNCS) and two xanthato (ROCS) ligands have been prepared and fully characterized. With these complexes in hand, the electronic and steric properties of the bidentate, monoanionic ligands were evaluated using the HEP2 and % methodologies. Moreover, the construction of the first stereoelectronic map for dithiocarbamates enabled the in-principle identification of optimal ligand parameters for enhanced cytotoxic activities of their gold(III) complexes. This application of the stereoelectronic map showcases its viability as a useful tool to establish structure-activity relationships for rational ligand design.
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