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. 2021 Feb 12;12:991. doi: 10.1038/s41467-021-21270-9

Fig. 3. Mechanistic studies on the product forming step.

Fig. 3

a Computed oxidation potentials of I-rad and associated reactivity trends. b Kinetic isotope effect measurements/computations. aYields are isolated yields. bDFT computations were performed at the B3LYP-D3/6-311 + +G**/SDD//B3LYP-D3/6-31 G**/LanL2DZ level of theory in DMA (IEFPCM). The potentials are shown vs N.H.E. cFrom ref. 52. dDFT-computed value.