Synthesis, spectroscopic characterization and computational study of Ru(II)/DMSO complexes with monocoordinated carbazate ligands

Abstract

Reaction of the precursor cis,fac-[RuCl₂(dmso-S)₃(dmso-O)] with three carbazate ligands led to new compounds of the type cis,fac-[RuCl₂(dmso-S)₃(L)] (L = benzylcarbazate (bc), 1; 4-methoxybenzylcarbazate (mc), 2; or 3,5-dimethoxy-α,α-dimethylbenzylcarbazate (mmc), 3). Complexes 1–3 have been characterized by elemental analysis (CHN), FTIR, UV–vis, and ¹H and ¹³C{¹H} NMR spectroscopy. Complex 1 was also analyzed by single-crystal X-ray diffraction and theoretical calculations were performed in order to better understand its spectroscopic data and electronic structure. All collected data were consistent with substitution of one dmso ligand by a monodentate carbazate ligand. Preliminary biological assays against breast and prostate human cancer cell lines were performed in order to evaluate the cytotoxic activity of these three new complexes.

Graphical Abstract

Keywords:

• Carbazates
• cytotoxicity
• DFT calculations
• Ru(II) complexes
• X-ray structure

Acknowledgments

We thank the Multiuser Laboratory of Chemistry Institute at the Universidade Federal de Uberlândia for providing the equipment and technical support for elemental analysis. The authors also acknowledge Prof. Luciano M. Liao from Universidade Federal de Goiás for NMR facilities.

Disclosure statement

There is no conflict of interest for all the authors regarding this article.

Additional information

Funding

This work was supported by the Brazilian agencies of research: CNPq (304795/2018-6; 304316-2018-0; 305432/2017-6; 307443/2015-9), CAPES (001) and FAPEMIG (APQ-00330-14; APQ-03017-16).