New ruthenium(ii) polypyridyl complexes of formulae [RuCl(MeNtrpy)(bpy-OMe)]Cl, 1, and [Ru(MeNtrpy)(bpy-OMe)(OH)](CFSO), 2, with MeNtrpy = 4'-,-dimethylamino-2,2':6',2''-terpyridine and bpy-OMe = 4,4'-dimethoxy-2,2'-bipyridine, were synthetized and characterized by spectroscopic and electrochemical techniques. Besides, [Ru(MeNtrpy)(bpy-OMe)(NCCH)], 3, was obtained and characterized by UV-vis spectroscopy in acetonitrile solution. All experimental results were complemented with DFT and TD-DFT calculations. The complete structure of complex 1 was determined by X-ray diffraction, evidencing that the Ru-N and Ru-Cl bond lengths are longer than those determined in [RuCl(trpy)(bpy)](PF). The strong electron donating properties of the substituents of both bpy and trpy rings in complexes 1 and 2 led to their potential applications for detecting traces of acetonitrile as a contaminant in aqueous solutions of radiopharmaceuticals and to utilization of complex 2 as a promising candidate for catalyzing water oxidation processes.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC8984912PMC
http://dx.doi.org/10.1039/d1ra09455fDOI Listing

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