Fig. 7 Non-adiabatic quantum dynamics of [Re (Br)(CO) 3 (bpy)] including SOC with four normal
modes associated to Re-Br and Re-CO a
0 stretching modes (top) and SOC with six modes
including two normal modes associated to bpy a
00 out-of-plane-bending modes (bottom). The
population of S 2 (in black), S 1 (dashed line), T 1 (in blue), T 2 (in red), and T 3 (in sienna) are
represented as function of time
Absorption Spectroscopy, Emissive Properties, and Ultrafast Intersystem. . .
407
modes associated to Re-Br and Re-CO a
0 stretching modes (top) and SOC with six modes
including two normal modes associated to bpy a
00 out-of-plane-bending modes (bottom). The
population of S 2 (in black), S 1 (dashed line), T 1 (in blue), T 2 (in red), and T 3 (in sienna) are
represented as function of time
Absorption Spectroscopy, Emissive Properties, and Ultrafast Intersystem. . .
407