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- W3020130925 abstract "Free-base 5,10,15-tris(pentafluorophenyl)corrole [C-3H] has been shown to be electrocatalytically active towards hydrogen evolution in acetonitrile under acidic conditions. We observed hydrogen gas generation at −1.22 V vs Fc/Fc+ in acetonitrile when [C-3H] was used as a catalyst and p-toluenesulfonic acid was used as the proton source, with an overpotential of 0.57 V. This activity is comparable to other metalated and metal-free macrocycles. From a combination of experimental observations and density functional theory calculations, a mechanistic pathway was obtained when a strong acid was used as the proton source (p-toluenesulfonic acid). The favored mechanism for hydrogen gas generation when p-toluenesulfonic acid is used is a protonation, reduction, reduction, protonation (CEEC) pathway. On the other hand, when a weaker acid (benzoic acid) was used, the metal-free corrole could not catalyze the proton reduction reaction." @default.
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- W3020130925 date "2020-04-23" @default.
- W3020130925 modified "2023-10-09" @default.
- W3020130925 title "Hydrogen Evolution Catalyzed by a Metal-Free Corrole: An Experimental and Theoretical Mechanistic Study" @default.
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- W3020130925 doi "https://doi.org/10.1021/acs.jpcc.9b10957" @default.
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