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. 2023 Feb 20;145(8):4462–4472. doi: 10.1021/jacs.2c10165

Table 2. Free Energies for Ground and Excited State Reactions of bpy and dpab Complexesa.

  ground-state reactions
excited-state reactions
  ΔGET (kcal/mol) ΔGPT (kcal/mol) ΔGPCET (kcal/mol) ΔGET* (kcal/mol) ΔGPT* (kcal/mol) ΔGPCET* (kcal/mol)
MQ+
[(bpy)2Ru(4,4′-dhbpy)]2+ 52 10.0 35 6.4 6.9 –9.3
[(dpab)2Ru(4,4′-dhbpy)]2+ 55 7.4 40 13 2.8 –3.2
BMQ+
[(bpy)2Ru(4,4′-dhbpy)]2+ 50.8 11.7 33 4.4 8.5 –9.9
[(dpab)2Ru(4,4′-dhbpy)]2+ 52.6 9.0 41 10 4.5 –2.4
a

The approaches used for determination of the free energies are discussed on pages 17 and 18 of the SI.