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