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. 2022 Dec 21;3(1):131–142. doi: 10.1021/jacsau.2c00552

Table 2. Reaction Energies for the Energy Transfer (ΔEET in kcal/mol) between DHP Isomers and Dioxygen in Various DHP Derivatives.

system ΔEET solvent expt.a
tBuDHP –8.3 cyclohexane yes
DHPPy+ –5.3 acetonitrile yes
BDHP 0.3 cyclohexane no
BDHPPy+(PF6) 2.5 acetonitrile no
BDHPPy+(I) 2.5 water no
a

Experimental observations of 1O2 production.