New heterobimetallic ruthenium (II) complexes [Ru(N-S)(bipy)(dppf)]PF6: Synthesis, molecular structure, electrochemistry, DFT, antioxidant and antibacterial potential

• Published in: Journal of organometallic chemistry Vol. 846; pp. 326 - 334
• Main Authors: Appelt, Patrícia, da Silva, Juliana P., Fuganti, Otávio, Aquino, Lucas E.N., Sandrino, Bianca, Wohnrath, Karen, Santos, Vidiany A.Q., Cunha, Mário A.A., Veiga, Andressa, Murakami, Fábio S., Back, Davi F., de Araujo, Márcio P.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 01-10-2017
• Subjects: Antibacterial and antioxidant activity; Cyclic voltammetry; DFT; dppf; Mercaptothiazolines; Ruthenium (II) complexes; UV-Vis spectroelectrochemistry; Cyclic voltammetry; Antibacterial and antioxidant activity; DFT; UV-Vis spectroelectrochemistry; Mercaptothiazolines; Ruthenium (II) complexes; dppf
• ISSN: 0022-328X; 1872-8561
• DOI: 10.1016/j.jorganchem.2017.07.005

Two new heterobimetallic ruthenium (II) complexes with general formula [Ru(N-S)(bipy)(dppf)]PF6 (bipy = 2,2’-bipyridine, N-S = 2-mercaptothiazolinate – mctz− (1) and 2-mercaptobenzothiazolinate – mcbtz− (2); dppf = 1,1’-bis{diphenylphosphino}ferrocene) were synthesized from the reaction of cis-[RuCl2(bipy)(dppf)] and 2-mercaptothiazoline (Hmctz) or 2-mercaptobenzothiazoline (Hmcbtz), in the presence of triethylamine (NEt3) and KPF6 in MeOH, under reflux. The complexes were characterized by NMR (31P{1H}, 1H and 13C), vibrational spectroscopy (FTIR), cyclic voltammetry, molar conductivity, UV-Vis and elemental analysis (%C, %H, %N, and %S). Furthermore, the molecular structure of complexes 1 and 2 were solved by X-ray diffraction studies. UV-Vis spectroelectrochemistry studies were carried out for complex 2 in order to unravel the processes observed in the cyclic voltammetry. DFT analysis of complexes 1, 2 and the precursor complex cis-[RuCl2(bipy)(dppf)] revealed the composition of the frontiers orbitals, supporting the assignment of the electrochemical behavior of the complexes. The antibacterial potential of the new complexes and the free ligands (dppf, mctz− and mcbtz−) were assessed in vitro against Staphylococcus aureus, Staphylococcus epidermidis, E. coli and P. aeruginosa. The 1,1-diphenyl-2-picrilhidrazyl (DPPH) radical scavenging ability (antioxidant activity) was also evaluated.
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•Synthesis and characterization of dppf/bipy and N-S ligands containing complexes.•Solution and solid state molecular structure.•Electrochemistry, DFT and UV-Vis spectroelectrochemistry.•Antibacterial and antioxidant assays.