Orbital Analysis Captures the Existence of a Mixed-Valent CuIII-O-CuII Active-Site and Its Role in Water-Assisted Aliphatic Hydroxylation
CHEMISTRY-A EUROPEAN JOURNAL（2024）
关键词
mixed-valent Cu-III-O-Cu-II,aliphatic C-H activation,density functional theory,hydrogen atom transfer,proton transfer,role of water,orbital analysis
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