Table 1 Parameters relevant to spin-flipping RISC and ISC.

RISC and ISC rate constants (kRISC and kISC) at 300 K, reorganization energies (λRISC and λISC), activation energies (Ea,RISC and Ea,ISC), and SOC strengths (HSO) between S1 and T2 at the crossing point are listed for MCz-TXT, MCz-XT, and 4CzIPN.

EmitterkRISC (s−1)kISC (s−1)λRISC (meV)λISC (meV)Ea,RISC (meV)Ea,ISC (meV)HSO (meV)
MCz-TXTExp.1.1 × 1089.4 × 10859417573330.29
Calc.3.4 × 1081.5 × 10950340120570.70
MCz-XTExp.2.7 × 1063.4 × 1076401331150.020
Calc.6.2 × 1062.8 × 1074834095300.057
4CzIPNExp.1.9 × 1067.7 × 107891192250.035
Calc.1.1 × 1062.6 × 1072635160800.074