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Skoczynska, Anna; Lux, Karin; Mayer, Peter; Lorenz, Ingo-Peter; Krajewska, Urszula; Rozalski, Marek; Dołęga, Anna; Budzisz, Elzbieta (2017): Spectroscopic and cytotoxic characteristics of (p-cymene)Ru(II) complexes with bidentate coumarins and density functional theory comparison with selected Pd(II) complexes. In: Inorganica Chimica Acta, Vol. 456: pp. 105-112
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This paper presents the synthesis of two new (p-cymene)-ruthenium(II) complexes 3a,b with the bidentate coumarin ligands 2a,b. Both complexes were characterized by FTIR spectroscopy, H-1 NMR, C-13 NMR, MS, elemental analysis and DFT calculations. The X-ray structure of complex 3a was also solved. The cytotoxic properties of both complexes were examined on human leukemia NALM-6 and HL-60 cells and melanoma WM-115 cells. The complexes possess higher cytotoxic activity than the ligands, but distinctive result is for complex 3b, which exhibited higher cytotoxic effect on WM-115 cells (IC50 = 60.2 +/- 7.8 mu M) in comparison to carboplatin (IC50 = 422.2 +/- 50.2 mu M). The results of DFT calculations performed at the BP86-D3/QZ4P level for Ru(II) complexes and Pd(II) complexes with the same ligands indicate that Pd(II) complexes are more lipophilic. Moreover the RP-TLC-Based Lipophilicity assessment was also performed.