Fig. 1. Schematics of [Cu(dmphen)2]+ and the experimental setup. (A) Ground state structure of [Cu(dmphen)2]+. (B) General picture of the potential energy surfaces of [Cu(dmphen)2]+. Within 1 ps, intersystem crossing (S1 → T1) via T2 and T3 states induces a branching of population between S1 and T1 states. After the flattening distortion is completed, intersystem crossing on a slower timescale (∼10 ps) proceeds from the S1 potential minimum. The geometries and the shape of the potentials of the S1 and T1 states are similar. (C) Instrumental layout enabling simultaneous time-resolved X-ray solution scattering and X-ray emission spectroscopy measurements.
