<i>Tert</i>-Butylcarbazole and Methoxycarbazole Substituted on the Phenazine Group Exhibit Mechano and Thermoresponsivity for TADF LEECs
Bibliographic record
Abstract
High Resolution Image Download MS PowerPoint Slide Two new well-defined donor–acceptor–donor (D–A–D′) thermally activated delayed fluorescence (TADF) molecules with mechanochromic and thermochromic architectures were designed and synthesized based on tert -butylcarbazole and methoxycarbazole substituents attached to a phenazine derivative. Density functional theory (DFT) studies revealed molecular structures with extended π-conjugation and low singlet–triplet energy gaps (Δ E ST ), which enhance reverse intersystem crossing (RISC) for efficient TADF. Single-crystal X-ray diffraction confirms differences in molecular packing. The dye composed of tert -butylcarbazole exhibits lower aggregation and higher photoluminescence quantum yield (PLQY) upon spin-coating in a solid film, owing to its bulkier structure. Thermal stability studies demonstrated high decomposition temperatures ( T d > 300 °C) and improved rigidity of the dye consisting of tert -butylcarbazole. Photophysical investigations revealed that the dyes dispersed in a tetrahydrofuran (THF):water mixture showed aggregation-induced emission enhancement (AIEE). Incorporation of the complex organometallic [Ir(buoppy) 2 (dmapzpy)]PF 6 as a host in LEECs favors the energy transfer and yields single emission peaks at 588 and 587 nm with 60 wt % host content. The improved device attains maximum current (28.97 cd A –1 ), power (22.11 lm W –1 ), and external quantum efficiency (4.02%). These findings underline the significance of substituent design and host:guest interactions in improving TADF LEEC performance and provide new insights for high-efficiency optoelectronic devices.
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How this classification was reachedexpand
Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".