Czerwieniec, Rafal and Yersin, Hartmut (2015) Diversity of Copper(I) Complexes Showing Thermally Activated Delayed Fluorescence: Basic Photophysical Analysis. INORGANIC CHEMISTRY, 54 (9). pp. 4322-4327. ISSN 0020-1669, 1520-510X
Full text not available from this repository. (Request a copy)Abstract
A comparison of three copper(I) compounds [1, Cu(dppb)(pz(2)Bph(2)); 2, Cu(pop)(pz(2)Bph(2)); 3, Cu(dmp)(phanephos)(+)] that show pronounced thermally activated delayed fluorescence (TADF) at ambient temperature demonstrates a wide diversity of emission behavior. In this study, we focus on compound 1. A computational density functional theory (DFT)/time-dependent DFT approach allows us to predict detailed photophysical properties, while experimental emission studies over a wide temperature range down to T = 1.5 K lead to better insight into the electronic structures even with respect to spin-orbit coupling efficiencies, radiative rates, and zero-field splitting of the triplet state. All three compounds, with emission quantum yields higher than phi(PL) = 70%, are potentially well suited as emitters for organic light-emitting diodes (OLEDs) based on the singlet-harvesting mechanism. Interestingly, compound 1 is by far the most attractive one because of a very small energy separation between the lowest excited singlet S-1 and triplet T-1 state of Delta E(S-1-T-1) = 370 cm(-1) (46 meV). Such a small value has not been reported so far. It is responsible for the very short decay time of tau(TADF, 300 K) = 3.3 mu s. Hence, if focused on the requirements of a short TADF decay time for reduction of the saturation effects in OLEDs, copper(I) complexes are well comparable or even slightly better than the best purely organic TADF emitters.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | LIGHT-EMITTING-DIODES; EXCITED-STATE; ELECTROCHEMICAL-CELLS; HIGH-EFFICIENCY; TRIPLET-STATE; CU(I) COMPLEXES; CHARGE-TRANSFER; PHOSPHORESCENCE; SINGLET; BLUE; |
| 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: | 18 Jul 2019 09:17 |
| Last Modified: | 18 Jul 2019 09:17 |
| URI: | https://pred.uni-regensburg.de/id/eprint/5516 |
Actions (login required)
 |
View Item |
