Fig. 6. Structural analysis of the active catalyst (D3-N-3F), antiferromagnetic F-atom transfer transition state (DTSF-N-3F) and imidyl radical product complex (D4-N-4F) involved in the oxidation of D3-N-3F by NFSI. Bond distances (in Å) are shown in black and Mulliken spin density values (in |e|) are shown in blue.
