Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design
| العنوان: | Unusually Fast Phosphorescence from Ir(III) Complexes via Dinuclear Molecular Design |
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| المؤلفون: | Valery N. Kozhevnikov, Marsel Z. Shafikov, Ruth Daniels |
| المصدر: | J. Phys. Chem. Lett. Journal of Physical Chemistry Letters |
| بيانات النشر: | American Chemical Society (ACS), 2019. |
| سنة النشر: | 2019 |
| مصطلحات موضوعية: | ELECTRONIC COUPLING, Materials science, F100, F200, Quantum yield, 010402 general chemistry, 01 natural sciences, Molecular physics, COORDINATION REACTIONS, IRIDIUM COMPOUNDS, COORDINATION SITES, MOLECULAR ORBITALS, SPIN-ORBIT COUPLINGS, General Materials Science, Molecular orbital, Physical and Theoretical Chemistry, EMISSION QUANTUM YIELD, Coupling, 010405 organic chemistry, PHOSPHORESCENCE, MONONUCLEAR COMPLEXES, Antibonding molecular orbital, EXCITED STATES, 0104 chemical sciences, CHLORINE COMPOUNDS, DESIGN FOR TESTABILITY, TD-DFT CALCULATIONS, Excited state, PHOTOPHYSICAL STUDIES, Phosphorescence, ZERO-FIELD SPLITTINGS |
| الوصف: | 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 φPL = 90% and τ(300 K) = 1.16 μs for the mononuclear complex 5, and φPL = 95% and τ(300 K) = 0.44 μs 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 T1 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 T1 substates. With the help of TD-DFT calculations, we rationalize that the drastic changes in the T1 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. © 2019 American Chemical Society. |
| وصف الملف: | application/pdf |
| تدمد: | 1948-7185 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e762283c070aab277e4fe2e9336a670d https://doi.org/10.1021/acs.jpclett.9b03002 |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi.dedup.....e762283c070aab277e4fe2e9336a670d |
| قاعدة البيانات: | OpenAIRE |
Find this issue from the American Chemical Society | تدمد: | 19487185 |
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