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

Deka, Rajesh, Junk, Peter C., Turner, David R., Deacon, Glen B., and Singh, Harkesh B. (2020) 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. Inorganica Chimica Acta, 499. 119193.

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Abstract

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.

Item ID: 61416
Item Type: Article (Research - C1)
ISSN: 1873-3255
Keywords: redox non-innocence, molecular structure, electrochemistry, electron paramagnetic resonance, density functional calculation
Funders: Department of Science and Technology of India (DST), IITB-Monash Research Academy (IITB-MRA)
Projects and Grants: DST J. C. Bose Fellowship 15DSTFLS002, GrantNo. RD/0115-DSTFLS80-00, IITB-MRA IMURA 024
Date Deposited: 15 Jan 2020 07:56
FoR Codes: 03 CHEMICAL SCIENCES > 0302 Inorganic Chemistry > 030207 Transition Metal Chemistry @ 100%
SEO Codes: 97 EXPANDING KNOWLEDGE > 970103 Expanding Knowledge in the Chemical Sciences @ 100%
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