Figure Abstract (IMAGE)

Dalian Institute of Chemical Physics, Chinese Academy Sciences

Figure Abstract

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The mechanisms for the TqaLNC-catalyzed aziridine formation involve: (1) conformational change of the Fe(IV)=O species from the axial one to the equatorial one; (2) the deprotonation of the substrate NH3+ group to form the NH-ligated intermediate; (3) the C-H activation by the equatorial Fe(IV)=O species and (4) the final C-N coupling within the Fe-ligated substrate radical intermediate. The steric effects and the frontier orbitals are vital in dictating the aziridination but bypassing the unwanted hydroxylation.

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Chinese Journal of Catalysis

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