An insight into the redox activity of Ru and Os complexes of the N,N′-bis(2-pyridyl)benzene-1,2-diamine ligand: Structural, electrochemical and electronic structure analysis by density functional theory calculations

Rajesh Deka, Peter C. Junk, David R. Turner, Glen B. Deacon, Harkesh B. Singh

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The synthesis of Ru and Os complexes of the ligand, N,N′-bis(2-pyridyl)benzene-1,2-diamine namely, [RuIII(acac)2(Py-bqdi)], (9), [RuII(Ph-trpy)(Py-bqdi)Cl], (10) and [OsII(bpy)2(Py-bqdi)](ClO4), ([11]ClO4) [where Py-bqdi = N,N′-dipyridyl-o-benzoquinonediimine, acac = 2,4-pentanedionate, Ph-trpy = 4′-phenyl-2,2′:6′,2″-terpyridine, bpy = 2,2′-bipyridine] is reported. The molecular structures of complexes 9-[11]ClO4 are authenticated by single crystal X-ray diffraction studies. The electronic structural properties of the complexes, in particular, the accessible oxidized/reduced forms of the complexes, are examined by using an array of analytical techniques (magnetic resonance, UV–Vis-NIR spectroscopy and electrochemistry). Comprehensive Density Functional Theory (DFT) calculations have also been carried out to provide additional support to the experimental work.

Original languageEnglish
Article number119193
Number of pages9
JournalInorganica Chimica Acta
Publication statusPublished - 1 Jan 2020


  • Density functional calculation
  • Electrochemistry
  • Electron paramagnetic resonance
  • Molecular structure
  • Redox non-innocence

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