The Journal of Physical Chemistry Letters · 2024 · 16 citations · 41 references
Natural SciencesChemistryPhysicsOrganic ChemistryQuantum ChemistrySpectroscopyFluorescence SpectroscopyLuminescent MaterialsMolecular SymmetryOrganic SemiconductorsPhotochemistryPhotophysics Of Fluorescent ProbesChromophore DesignChromophore PhotochemistryIsomerization ReactionsOrganic FluorophoresPhotoluminescencePhotoluminescence Quantum YieldPhotoluminescence SpectroscopyQuantum Chemistry Simulation
White light emission (WLE) via dual thermally activated delayed fluorescence (TADF) from a single-component-based organic system remains challenging as a result of the difficulty in design. Here, we introduce a conformational isomerization approach to achieve WLE from a twisted donor–acceptor (PTzQP1) that comprises two phenothiazines covalently attached to the 6,8-isomeric positions of 2,4-diphenyl quinoline via two C–N single bonds. Spectroscopic studies and quantum chemistry calculations revealed that PTzQP1 shows WLE via simultaneous blue TADF and orange TADF covering the visible range (420–800 nm) with a photoluminescence quantum yield of 45 ± 2% and Commission Internationale de l’Éclairage (CIE) coordinates of 0.30, 0.33. The dual TADF features with high rates of reverse intersystem crossing ( k RISC1 = 1.38 × 10 7 ± 0.24 s –1 and k RISC2 = 5.04 × 10 6 ± 0.32 s –1 ) are realized as a result of the low singlet–triplet gaps (S1 EQ –T1 EQ = 0.04 eV and S1 QA –T1 QA = 0.05 eV) of the quasi-axial (QA) and quasi-equatorial (QE) conformers. This finding is expected to provide a new direction for designing high-energy-efficient WLE emitters.
41
G. te Velde, F. Matthias Bickelhaupt, Evert Jan Baerends et al. · Journal of Computational Chemistry · 2001 · 10K citations
Natural Sciences, Chemistry, Physics +17
A Theory of Sensitized Luminescence in Solids
D. L. Dexter · The Journal of Chemical Physics · 1953 · 8.9K citations
Density-Functional Theory for Time-Dependent Systems
Erich Runge, E. K. U. Gross · Physical Review Letters · 1984 · 8.8K citations
Highly efficient organic light-emitting diodes from delayed fluorescence
H. Uoyama, Kenichi Goushi, Katsuyuki Shizu et al. · Nature · 2012 · 8.1K citations · Full text
Natural Sciences, Electrical Engineering, Materials Science +12
Highly efficient phosphorescent emission from organic electroluminescent devices
Marc A. Baldo, D. F. O’Brien, Yujian You et al. · Nature · 1998 · 7.2K citations