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
Journal Publication ResearchOnline@JCUAbstract
The synthesis of Ru and Os complexes of the ligand, N,N′-bis(2-pyridyl)benzene-1,2-diamine namely, [Ru-¹¹¹(acac)₂(Py-bqdi)], (9), (Ru-¹¹(Ph-trpy)(Py-bqdi)Cl], (10) and (Os-¹¹(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.
Journal
Inorganica Chimica Acta
Publication Name
Inorganica Chimica Acta
Volume
499
ISBN/ISSN
1873-3255
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Pages Count
9
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Publisher
Elsevier
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DOI
10.1016/j.ica.2019.119193