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We report a DFT/TDDFT study on the geometric, electronic and optical properties of [Ru{4′‐(4‐pyridyl)‐2,2′:6′,2"‐terpyridine}2]2+. Because of the presence of the basic nitrogen atom on the terminal pyridyl ligands, in solution the complex can exist in three different protonation states depending on the pH, each with markedly different photophysical properties. We investigated the effect of protonation...
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