Electroluminescence of Halogen Complexes with Monovalent Copper: OLED Devices and DFT Modeling

Molecular phosphorescence enhancement by the plasmon field of metal nanoparticles

“…At 80 K, these processes cannot determine the total lifetime of the T 1 state due to the slow reverse ISC transition from T 1 to S 1 . When Δ E ST < 1000 cm −1 , thermally activated DF can occur thanks to a fast reverse ISC from T 1 to S 1 , 75,89–92 which is also observed in the present measurements.…”

Perhalophenyl Three-Coordinate Gold(I) Complexes as TADF Emitters: A Photophysical Study from Experimental and Computational Viewpoints

“…The calculated and measured energy difference between the S 1 and T 1 computed states in Table is 1200 cm –1 (0.15 eV). Thermally activated delayed fluorescence (TADF) occurs when the energy gap between the S 1 and T 1 states is about 1000 cm –1 according to previous studies. − The calculations yielded a rate constant for reverse intersystem crossing ( k RISC (T 1 → S 1 )) of 2 × 10 7 s –1 and a rate constant for intersystem crossing ( k ISC (T 1 → S 0 )) of 10 s –1 . The calculated spin–orbit coupling matrix element (⟨T 1 |H SO |S 0 ⟩) is 20 cm – 1 .…”

Influence of perhalophenyl groups in the TADF mechanism of diphosphino gold(i) complexes

“…For para -substituted Br ( 3 ) and I ( 5 ) complexes, we obtained Δ E (S 1 − T 1 ) values of 736 and 769 cm −1 , respectively. TADF occurs when the Δ E (S 1 − T 1 ) energy gap is about 1000 cm −1 , 28–31 suggesting that TADF may occur. The calculations yielded rate constants for RISC ( k RISC (T 1 → S 1 )) of 6 × 10 6 s −1 ( 2 ) and ( 4 ) and of 7 × 10 8 s −1 ( 3 ) and 6 × 10 8 s −1 ( 5 ).…”