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. Author manuscript; available in PMC: 2024 Jul 26.
Published in final edited form as: J Am Chem Soc. 2023 Jul 13;145(29):16045–16057. doi: 10.1021/jacs.3c04376

Figure 1.

Figure 1.

Generation of azaallyl radical 8 via deprotonation of 2a followed by SET to 1a. Free energies were computed using UM06/6–311+G(d,p)-CPCM(DMSO)//UB3LYP/6–31G(d). See Figure S7 for energetics with UM06–2X/6–311+G(d,p)-CPCM(DMSO)//UB3LYP/6–31G(d).