Metal–Ligand Cooperative Proton Transfer/Electron Transfer and Acid-Assisted Protonation Mechanism for Mo-Catalyzed Reduction of Proton and Carbon Dioxide
Density functional theory (DFT) study of Mo-catalyzed photoreduction of H<sup>+</sup> and CO<sub>2</sub> reveals a metal–ligand cooperative proton transfer/electron transfer (PT/ET) process and an intermolecular acid-assisted protonation mechanism. The key metal–hydride compl...
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2025
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