Schinabeck, Alexander and Chen, Jin and Kang, Liju and Teng, Teng and Homeier, Herbert H. H. and Suleymanova, Alfiya F. and Shafikov, Marsel Z. and Yu, Rongmin and Lu, Can-Zhong and Yersin, Hartmut (2019) Symmetry-Based Design Strategy for Unprecedentedly Fast Decaying Thermally Activated Delayed Fluorescence (TADF). Application to Dinuclear Cu(I) Compounds. CHEMISTRY OF MATERIALS, 31 (12). pp. 4392-4404. ISSN 0897-4756, 1520-5002
Full text not available from this repository. (Request a copy)Abstract
Inspired by molecular crystal theory of coupling symmetry-related transition dipole moments, we develop a model for rational design of Cu(I) complexes to achieve short TADF (thermally activated delayed fluorescence) decay times. This is, for example, important to reduce OLED stability problems and roll-off effects. Guided by the model, we design a new class of Cu(I) dimers focusing on Cu-2(tppb)(PPh3)(2)Cl-2 2 (tppb(PPh3)(2) = 1,2,4,5-tetrakis(diphenylphosphino)benzene). Indeed, this class of compounds shows particularly short TADF decay times as evidenced by luminescence studies over a temperature range of 1.5 K <= T <= 300 K and, thus, supports the proposed design strategy. The model is further supported by TD-DFT calculations. A key property of the strategy is that the new dimer(s) exhibit a drastically faster radiative rate of the transition between the lowest excited singlet state and the ground state than the related monomer, Cu(dppb)(PPh3)Cl 1 (dppb = 1,2-bis(diphenylphosphino)benzene). This is even valid at a small singlet-triplet energy gap of Delta E(S-1-T-1) = 390 cm(-1) (48 meV). Accordingly, we find a benchmark TADF decay time for the Cu(I) dimer 2 of only 1.2 mu s (radiative decay: 1.5 mu s). This is a factor of about three times shorter than found so far for any other Cu(I) complex with a similarly small energy gap. The presented design strategy seems to be of general validity.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | LIGHT-EMITTING-DIODES; COPPER(I) COMPLEXES; TRIPLET EMITTERS; CHARGE-TRANSFER; EFFICIENT; SINGLET; BLUE; EMISSION; PHOSPHORESCENCE; TADF; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Hartmut Yersin |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 06 Apr 2020 07:15 |
| Last Modified: | 06 Apr 2020 07:15 |
| URI: | https://pred.uni-regensburg.de/id/eprint/26807 |
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