Line Plot from Scientific Research

TDDFT potential energy curves for displacement along with the a 1 symmetry vibrational mode (in D 2d symmetry), showing doublet LMCT, MLCT and mixed LMCT/ligand-centred states, as well as quartet metal-centred states. The black arrow indicates the excitation at 350 nm, the blue arrow indicates the MLCT emission and the red arrow indicates the LMCT emission.

DOI