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Left: UV‐vis absorption spectra of Ru (black), its singly‐protonated (RuH+ , violet) and doubly‐reduced doubly‐protonated (RuH2 , blue) derivatives and their respective TD‐DFT simulated vertical transitions. Right: Selected charge density differences of Ru, RuH+ and RuH2 (most stable isomers for RuH+ and RuH2 , see Table S3 and S10); charge transfer takes place from blue to yellow.
