Figure 2.

Mechanism of the photoinduced long-range ET in Re-modified azurin (adapted from Figure S1 in ref (11)). The structures of the three molecular fragments in Figure 1 are shown. In each frame, the left fragment is the Re(CO)₃(dmp) complex; the middle fragment is the Cl-substituted Trp group; and the right fragment represents the Cu center and the surrounding ligands. Excited species positively or negatively charged compared to the ground state are shown in red and blue, respectively. ¹MLCT: singlet metal-to-ligand charge-transfer state; ³*MLCT (state A): vibrationally excited triplet metal-to-ligand charge transfer state; ³MLCT (state B): vibrationally relaxed triplet metal-to-ligand charge transfer state; ³CS (state C): triplet charge-separated state; LCT (state D): long-range charge-transfer state; GS: ground state.