Light emission mechanism in dimers of carbene–metal–amide complexes

Abstract

Recently an efficient dual electroluminescence from monomers and dimers was observed among the structural examples of the emerging emitter class of carbene-metal-amides (CMAs), allowing the preparation of simple design white...

Sulfonyl-functionalized benzo[d]imidazo[5,1-b]thiazole-based carbenes as building blocks for two-coordinate Cu(i) complexes exhibiting fast and efficient thermally activated delayed fluorescence

“…A similar phenomenon was noticed in our recently reported thiazole–NHC-based CMA emitters, where the formation of face-to-face aligned dimers was observed in the crystal structure. 38 As a result in solid-state samples, these thiazole-NHC emitters exhibited dual emission arising from a combination of isolated molecules and ground-state dimers. 39,40 We speculate that the reduced sterical bulk around carbene arising from the presence of only one 2,6-diisopropylphenyl (Dipp) group in 3 and 4 , like in the thiazole-NHC-based CMA complexes, enables a similar molecular stacking pattern.…”

“…39,40 We speculate that the reduced sterical bulk around carbene arising from the presence of only one 2,6-diisopropylphenyl (Dipp) group in 3 and 4 , like in the thiazole-NHC-based CMA complexes, enables a similar molecular stacking pattern. However, it must be noted that for 3 and 4, the molecular pairs do not assume a strict face-to-face configuration like the thiazole-based counterparts 38 and the molecules are noticeably offset to one another (Fig. S2c and d, ESI†).…”

Visible Light and Microwave‐Mediated Rapid Trapping and Release of Singlet Oxygen Using a Coordination Polymer

“…[50][51] The ground state electrons of CP1 are excited to the S 5 state. The spin-orbit coupling matrix element (SOC value) [52] between the excited states S 5 and T 1 is 0.79 cm À 1 whilst the SOC value of the S 0 state to T 1 state of CP1 is 0. The SOC values of the S 0 state to T 2 state and T 3 state are 0.53 cm À 1 and 0.87 cm À 1 , respectively.…”

TADF mechanism in a carbene-copper emitter: Insights from the nuclear ensemble simulations

“…22 Their combination of low exchange energy and high spin-orbit coupling occupies a space between traditional phosphorescent emitters and more recently developed thermally activated delayed fluorescence (TADF) compounds, leading to a significant interest in their underlying emission mechanism. 21,[23][24][25][26][27] Experimental and theoretical studies have emphasized the importance of rotational flexibility in CMAs for photoemission efficiency. Indeed, increasing the torsion angles induces a decrease of the S 1 -T 1 energy gap, which facilitates the intersystem crossing and enables luminescence with submicrosecond lifetimes.…”