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A Theoretical and Experimental Study on the Mechanism for the Reductive Amination of 5‑Hydroxymethylfurfural over a Ru<sub>1</sub>/NbOPO<sub>4</sub> Single-Atom Catalyst
出版 2025“...The reaction of HMF-to-HMFA is predominant, in which the optimal pathway involves the first amination of the CH<sub>2</sub>OH group in HMF to form 5-(aminomethyl)furan-2-carboxaldehyde (AMFC), followed by the hydrogenation of the –CHO group in AMFC to HMFA, and the rate-determining step is concerned with the formation of the –CH<sub>2</sub>–NH<sub>2</sub> bond. ...”
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Photorelaxation via Water-Mediated Electron Transfer in Fully Solvated Heptazine
出版 2025“...This drives water-to-heptazine electron transfer (ET), forming transient (H<sub>2</sub>O)<sub><i>n</i></sub><sup>+</sup> clusters (2 ≤ <i>n</i> ≤ 4) stabilized in hemibonded configurations. ...”
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Photorelaxation via Water-Mediated Electron Transfer in Fully Solvated Heptazine
出版 2025“...This drives water-to-heptazine electron transfer (ET), forming transient (H<sub>2</sub>O)<sub><i>n</i></sub><sup>+</sup> clusters (2 ≤ <i>n</i> ≤ 4) stabilized in hemibonded configurations. ...”
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