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. 2021 Jan 12;60(3):1672–1682. doi: 10.1021/acs.inorgchem.0c03163

Figure 6.

Figure 6

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.