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Structural and electronic factors are crucial to rationalizethedifferent N,O or N,N chelating coordination of pyrazolones containinga pyridine ring. The reactivity of proligand 3-phenyl-1-(pyridin-2-yl)-5-pyrazolone(HLpy,ph) with the (arene)Ru(II) fragment was explored.Neutral and ionic (arene)Ru(II) complexes were obtained and fullycharacterized, also by X-ray diffraction, revealing the ligand tocoordinate in an unusual N,O-chelatingfashion. Other ruthenium complexes were also synthesized with 3-methyl-1-(pyridin-2-yl)-5-pyrazolone(HLpy,me) and 3-methyl-1-(pyridin-2-yl)-4-trifluoroacetyl-5-pyrazolone(HQ(py,CF3)). In these complexes the ligands adopt the preferred N,N-chelating mode. Ligands and complexeswere theoretically analyzed by density functional theory (DFT). Themost stable tautomer of HLpy,ph matched well with the experimentalbehavior of this proligand and the structures of Ru-complexes werewell described by calculations. The thermodynamic stability of the N,O- and N,N-coordination modes was analyzed and a proposal for the achievementof the N,O-coordination mode incomplexes 1-4 was proposed. Cytotoxicitytests were performed against human ovarian carcinoma (A2780 and Cisplatin-resistantA2780cis) and nontumorigenic human embryonic kidney (HEK293T) celllines, showing the free ligands to be more cytotoxic that the ensuing(arene)Ru(II) complexes.
Paul Joseph Dyson, Farzaneh Fadaei Tirani, Mouna Hadiji
Kay Severin, Farzaneh Fadaei Tirani, Noga Eren
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