Vibrational markers for the open-shell character of transition metal bis-dithiolenes: An infrared, resonance Raman, and quantum chemical study

The transitions in a series of prototypical complexes in depth were studied in combination of resonance Raman spectroscopy and quantum chemistry. These studies have defined the information content of absorption and rR spectroscopy for the compounds investigated and such transitions occur when the ligands have significant open-shell character.