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. Author manuscript; available in PMC: 2022 Aug 6.
Published in final edited form as: Org Lett. 2021 Jul 23;23(15):5703–5708. doi: 10.1021/acs.orglett.1c01790

Table 2.

Reaction outcomes with photocatalysts of similar triplet energies.a

graphic file with name nihms-1748418-t0003.jpg
entry photocatalyst ET (kcal/mol) E1/2
(M*/M+)
V vs SCE		 E1/2
(M+/M)
V vs SCE		 yield (ee)
1 [Ir(dFCF3ppy)2(dtbbpy)]PF6 60.1 −0.89 +1.69 82% (95%)
2 Ir(4-F,4’-tBuppy)3 59.4 −1.27 +0.98 0%
3 Ir(ppy)3 55.2 −1.97 +0.78 4%
4 [Ir(dFppy)2(bpy)]PF6 54.7 −0.80 +1.49 68% (80%)
5 [Ru(bpz)3](PF6)2 48.4 −0.26 +1.86 0%
a

Reaction conditions: 1a (0.15 mmol, 1 equiv), 2a (0.225 mmol, 1.5 equiv), photocatalyst (3 × 10–3 mmol, 2 mol%), Sc(OTf)3 and Bu4NCl (0.0225 mmol, 15 mol%), (S, S)-sBuPybox (0.03 mmol, 20 mol%), MeCN (3.0 mL, 0.05 M), 34 W blue LEDs. Yields determined by 1H NMR analysis of crude reaction mixtures using mesitylene as internal standard.