Cyclic voltammetry, relativistic DFT calculations and biological test of cytotoxicity in walled-cell models of two classical rhenium (I) tricarbonyl complexes with 5-amine-1,10-phenanthroline

Alexander Carreño, Eduardo Solís-Céspedes, César Zúñiga, Jan Nevermann, María Macarena Rivera-Zaldívar, Manuel Gacitúa, Angélica Ramírez-Osorio, Dayán Páez-Hernández, Ramiro Arratia-Pérez, Juan A. Fuentes

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

fac-[Re(CO)3(5-amine-1,10-phenanthroline)Cl or Br] (D1 and D2) were synthesized and characterized. D2 was obtained by al alternative method. The electrochemical reaction mechanisms of both D1 and D2 corresponded to EEC for reduction, and ECE for oxidation. Moreover, geometry, electronic, and luminescent properties were analyzed by relativistic DFT and TD-DFT calculations. We determined the lability of –Cl and –Br by a Morokuma–Ziegler analysis. We found that these compounds were less toxic than the ligand alone, and it depends on the cell model tested, where bacteria seem to be more susceptible than yeasts.

Original languageEnglish
Pages (from-to)231-238
Number of pages8
JournalChemical Physics Letters
Volume715
DOIs
Publication statusPublished - 1 Jan 2019

Keywords

  • 5-Amine-1,10-phenanthroline
  • Bacteria
  • fac-rhenium tricarbonyl
  • Spin-Orbit DFT, cytotoxicity
  • Yeasts

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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