{Ru(CO)(x)}-core complexes with selected azoles: Synthesis, X-ray structure, spectroscopy, DFT analysis and evaluation of cytotoxic activity against human cancer cells
- Author(s)
- Gabriella Tamasi, Alice Carpini, Daniela Valensin, Luigi Messori, Alessandro Pratesi, Federica Scaletti, Michael Jakupec, Bernhard Keppler, Renzo Cini
- Abstract
The reaction of [Ru
II
2(CO)
6Cl
2], 1, in methanol with azoles affords complexes that contain the fac-{Ru
II(CO)
3}
2+-core. The complexes presented in this paper have the general formula fac-[Ru
II(CO)
3Cl
2L], with a molecule L of imidazole (IM), 2, or N-methyl-imidazole (MIM), 3, as a ligand in the pseudo-octahedral coordination sphere that is completed by two chlorido ligands cis to each other. The compounds show an appreciable solubility in water (up to ca 1 g/L) at 25 °C, and are well soluble in other solvents, such as alcohol, acetone, dicholoromethane, dimethylsulfoxide, and in mixtures of solvents. In the case where water is present in the medium (10% v/v or higher), significant dissociation of the Ru-N bond that is trans to a carbonyl ligand occurs, and a series of substitutions and other types of reactions may take place afterwards, depending on the reactants and the applied experimental conditions. The synthesis and isolation of single crystals of 2 was performed by reacting the starting dimer 1 with 1-acetylimidazole in alcohol medium. DFT structure simulations/optimizations were carried out at Becke3lyp level of theory by using several basis sets up to 6-311++G
- Organisation(s)
- Department of Inorganic Chemistry
- External organisation(s)
- Università Degli Studi di Siena, University of Florence
- Journal
- Polyhedron
- Volume
- 81
- Pages
- 227-237
- No. of pages
- 11
- ISSN
- 0277-5387
- DOI
- https://doi.org/10.1016/j.poly.2014.05.067
- Publication date
- 10-2014
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 104003 Inorganic chemistry, 301904 Cancer research, 105113 Crystallography
- Keywords
- ASJC Scopus subject areas
- Materials Chemistry, Inorganic Chemistry, Physical and Theoretical Chemistry
- Sustainable Development Goals
- SDG 3 - Good Health and Well-being
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/9efb3d81-6782-49fb-bb9d-1cd5846d7d54