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- W4241844275 abstract "Abstract For homogeneous mononuclear ruthenium water oxidation catalysts, the Ru–O 2 complex plays a crucial role in the rate determining step of the catalytic cycle, but the exact nature of this complex is unclear. Herein, the infrared spectra of the [Ru(tpy)(bpy)(O 2 )] 2+ complex (tpy=2,2′:6′,2′′‐terpyridine; bpy=2,2′‐bipyridine) are presented. The complex [Ru(tpy)(bpy)(O 2 )] 2+ , formed by gas‐phase reaction of [Ru(tpy)(bpy)] 2+ with molecular O 2 , was isolated by using mass spectrometry and was directly probed by cryogenic ion IR predissociation spectroscopy. Well‐resolved spectral features enable a clear identification of the O−O stretch using 18 O 2 substitution. The band frequency and intensity indicate that the O 2 moiety binds to the Ru center in a side‐on, bidentate manner. Comparisons with DFT calculations highlight the shortcomings of the B3LYP functional in properly depicting the Ru–O 2 interaction." @default.
- W4241844275 created "2022-05-12" @default.
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- W4241844275 date "2016-02-17" @default.
- W4241844275 modified "2023-09-25" @default.
- W4241844275 title "Characterization of the Oxygen Binding Motif in a Ruthenium Water Oxidation Catalyst by Vibrational Spectroscopy" @default.
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- W4241844275 doi "https://doi.org/10.1002/ange.201600350" @default.
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