An Example of a Transition from a Closed-Shell Singlet to an Open-Shell Triplet Diradical Form: Stabilization of the Excited Open-Shell Singlet Form

Key Points

• The study aims to analyze the transition between closed-shell and open-shell states in ruthenium(II) complexes.
• Utilized BS DFT calculations for analysis of molecular transitions.
• Examined absorption in the range of 400-600 nm.
• Identified a double excitation transition within the specified wavelength range.