Publication: Synthesis and Characterization of Ruthenium bis-Bipyridine Mono- and Disulfinato Complexes

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Title	Synthesis and Characterization of Ruthenium bis-Bipyridine Mono- and Disulfinato Complexes
Authors/Editors*	Rowshan Ara Begum, Abdiaziz A. Farah, Howard N. Hunter, and A.B.P. Lever
Where published*	Inorg. Chem.
How published*	Journal
Year*	2009
Volume	Accepted
Number
Pages
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Abstract	Abstract: Reaction of cis-Ru(bpy)2Cl2 with 1,2-benzenedithiol afforded a monosulfhydryl-mono-sulfinate complex, [Ru(bpy)2(S.SO2)] (1). Complex 1 readily undergoes oxidation when treated with 30% H2O2 and also upon exposure to atmospheric O2 (rapidly in bright light) to afford the disulfinate complex, [Ru(bpy)2(SO2.SO2)] (2). Complexes 1 and 2 were studied using various analytical techniques including elemental analysis, uv-vis, mass, NMR, IR, cyclic voltammetry, X-ray crystallography (for 2). Density functional theory computation was employed with extended charge decomposition and natural population analyzes. The agreement between the observed electronic spectrum and that predicted by time dependent DFT, and between the observed infrared spectrum and that predicted by DFT, is truly exceptional. These molecules are relevant to the very unusual active site in the metalloenzyme nitrile hydratase.