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- W2554328785 abstract "The hydricity of the heterobimetallic iridium/ruthenium catalyst [Cp*Ir(H)(μ-bpm)Ru(bpy)2]3+ (1, where Cp* = η5-pentamethylcyclopentadienyl, bpm = 2,2'-bipyrimidine, and bpy = 2,2'-bipyridine) has been determined in both acetonitrile (63.1 kcal mol-1) and water (29.7 kcal mol-1). Hydride 1 features a large increase in the hydride donor ability when the solvent is changed from acetonitrile to water. The acidity of 1, in contrast, is essentially solvent-independent because 1 remains strongly acidic in both solvents. On the basis of an X-ray crystallographic study, spectroscopic analysis, and time-dependent density functional theory calculations, the disparate reactivity trends are ascribed to substantial delocalization of the electron density onto both the bpm and bpy ligands in the conjugate base of 1, [Cp*Ir(μ-bpm)Ru(bpy)2]2+ (3). The H2 evolution tendencies of 1 are considered in the context of thermodynamic parameters." @default.
- W2554328785 created "2016-11-30" @default.
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- W2554328785 date "2016-11-09" @default.
- W2554328785 modified "2023-09-24" @default.
- W2554328785 title "Solvent-Dependent Thermochemistry of an Iridium/Ruthenium H<sub>2</sub> Evolution Catalyst" @default.
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- W2554328785 doi "https://doi.org/10.1021/acs.inorgchem.6b02223" @default.
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