Analysis reveals oxygen-oxygen bond cleavage in aerobic C(sp³)-H hydroxylation, indicating its catalytic nature.
The mechanism of aerobic C(sp³)-H hydroxylation to α-hydroxy ketone is investigated by multiple quantum chemical computations. An alkali metal assisted electron transfer (AET) is proposed to drive the triplet-to-singlet transition for C-O bond formation. The O-O bond cleavage is the key to catalytic conversion, which depends on different alkali metal bases and reductants.
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Li et al. (2025) studied this question.
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