How Chemical Environment Activates Anthralin and Molecular Oxygen for Direct Reaction
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https://figshare.com/articles/dataset/How_Chemical_Environment_Activates_Anthralin_and_Molecular_Oxygen_for_Direct_Reaction/11421474
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资源简介：
The role of the chemical environment in promoting anthralin/O2 reactions was discovered using neat solvents to model the
amino acids of a cofactor-independent oxygenase. Experimental and
computational results highlight the importance of the substrate-enolate,
which is accessed via energetically small, escalating steps in which
the ground-state keto-isomer is tautomerized to an enol and then ionized
by solvent. The resulting ion-pair is poised for spontaneous electron
transfer to O2. Similar activation may be exploited in
biological/nonbiological oxidations involving O2.
创建时间：
2019-12-12
