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. 2024 Jul 8;15(31):12606–12615. doi: 10.1039/d3sc06989c

Computed spin–orbit coupling constants between singlet and triplet excited states and norm of derivative couplings between triplet excited states for 6–8.

Compound ΔEST/eV ΔET1–T2/eV SOCS1–T1/cm−1 SOCS1–T2/cm−1 DCT1–T2/bohr−1
6 0.25 0.02 0.44 0.23 29.1
7 0.46 0.34 0.42 0.46 1.2
8 0.13 0.06 0.45 0.56 1.0