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 | Synapse
May 6, 2026
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.
Abstract
complex of ruthenium(II) authenticated by BS DFT calculations and reveals a double excitation transition at 400-600 nm.