Excited-state dynamics
simulations of [Ru(S–Sbpy)(bpy)2]2+ for both EWs. Note the inverted
time axis for the right-hand side plots. Results for simulations starting
in EW-I and EW-II are shown on the left- and right-hand side, respectively.
(a,d) Sum of singlet and triplet populations for excitation in EW-I
and EW-II, respectively. Thin lines represent the sum of all trajectories
and thick dashed lines represent fits of populations. (b,e) Sum of
singlet and triplet populations for frozen nuclear dynamics after
excitation in EW-I and EW-II, respectively. (c,f) Evolution of charge-transfer
character along the simulations for the non-frozen dynamics shown
in (a,d), respectively.