Shafikov, Marsel Z. and Daniels, Ruth and Kozhevnikov, Valery N. (2019) Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 10 (22). pp. 7015-7024. ISSN 1948-7185,
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The design and detailed photophysical study of two novel Ir(III) complexes featuring mono- and dinuclear design are presented. Emission quantum yield and decay times in solution are Phi(PL) = 90% and tau(300 K) = 1.16 mu s for the mononuclear complex 5, and Phi(PL) = 95% and tau(300 K) = 0.44 mu s for the dinuclear complex 6. These data indicate an almost 3-fold increase in the phosphorescence rate for dinuclear complex 6 compared to 5. Zero-field splitting (ZFS) of the T-1 state also increases from ZFS = 65 cm(-1) for the mononuclear complex to ZFS = 205 cm(-1) for the dinuclear complex and is accompanied by a drastic shortening of the individual decay times of T-1 substates. With the help of TD-DFT calculations, we rationalize that the drastic changes in the T-1 state properties in the dinuclear complex originate from an increased number of excited states available for direct spin-orbit coupling (SOC) routes as a result of electronic coupling of Ir-Cl antibonding molecular orbitals of the two coordination sites.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | LIGHT-EMITTING DEVICES; ACTIVATED DELAYED FLUORESCENCE; EXTERNAL QUANTUM EFFICIENCY; IRIDIUM(III) COMPLEXES; TRIPLET-STATE; CYCLOMETALATED PLATINUM(II); PHOTOPHYSICAL PROPERTIES; OLED APPLICATIONS; LIGANDS; PERFORMANCE; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 25 Mar 2020 07:22 |
| Last Modified: | 25 Mar 2020 07:22 |
| URI: | https://pred.uni-regensburg.de/id/eprint/25814 |
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