Role of the Intramolecular‐Locking Strategy in the Construction of Organic Thermally Activated Delayed Fluorescence Emitters with Rotation‐Restricted Acceptors

Li, Bowen; Li, Meihua; Sang, Long; Li, Zhigao; Wan, Xin; Zhang, Yong

doi:10.1002/adom.202202610

Cited by 17 publications

(9 citation statements)

References 192 publications

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“…Furthermore, the solvation shells between groundand excited-state structures are more similar in a crystal. The lack of solvent reorganisation implies that neighbours are proximal, which can lead to optical phenomena such as aggregation enhanced emission, 26,27 thermally-activated delayed fluorescence (TADF) via reverse intersystem crossing, [28][29][30][31] or delayed fluorescence through triplet-triplet annihilation (TTA), [32][33][34] to name a few.…”

Section: Optical Properties -Solutionmentioning

confidence: 99%

Photophysical investigation into room-temperature emission from xanthene derivatives

Harrington,

Hogan,

Sutherland

et al. 2023

Phys. Chem. Chem. Phys.

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Section: Optical Properties -Solutionmentioning

confidence: 99%

Photophysical investigation into room-temperature emission from xanthene derivatives

Harrington,

Hogan,

Sutherland

et al. 2023

Phys. Chem. Chem. Phys.

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“…Intramolecular locking is a key strategy in the molecular design of TADF emitters . Hydrogen bonding, including forms of N···H, − O···H, , and F···H, , has been widely reported as a method for modifying molecular configurations for TADF emitters, although the role of hydrogen bonding in affecting the luminescence properties of TADF emitters is still controversial. , Therefore, it is still possible to introduce hydrogen bonding into “V”-shaped SCCT emitters to modulate the parallel face-to-face alignment of the D–A pairs and realize the precise tuning of the D–A distance.…”

Section: Introductionmentioning

confidence: 99%

Enhancing Light-Emitting Efficiency of Blue Through-Space Charge Transfer Emitters via Fixing Configuration Induced by Intramolecular Hydrogen Bonding

Li,

Zhao,

Zhao

et al. 2024

ACS Appl. Mater. Interfaces

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Closely aligned configuration of the donor (D) and acceptor (A) is crucial for the light-emitting efficiency of thermally activated delayed fluorescence (TADF) materials with through-space charge transfer (TSCT) characteristics. However, precisely controlling the D−A distance of blue TSCT-TADF emitters is still challenging. Herein, an extra donor (D*) located on the side of the primary donor (D) is introduced to construct the hydrogen bonding with A and thus modulate the distance of D and A units to prepare high-efficiency blue TSCT emitters. The obtained "V"-shaped TSCT emitter presents a minimal D−A distance of 2.890 Å with a highly parallel D−A configuration. As a result, a high rate of radiative decay (>10 7 s −1 ) and photoluminescence quantum yield (nearly 90%) are achieved. The corresponding blue organic light-emitting diodes show maximum external quantum efficiencies (EQE max ) of 27.9% with a Commission Internationale de L'Eclairage (CIE) coordinate of (0.16, 0.21), which is the highest device efficiency of fluorene-based blue TSCT-TADF emitters. In addition, the TSCT-TADF emitter-sensitized OLEDs also achieve a high EQE max of 29.3% with a CIE coordinate of (0.12, 0.16) and a narrow emission.

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“…To further boost the RISC rates, we designed three novel triptycene-TADF molecules: OTCO–DMAC, STCO–DMAC, and SeTCO–DMAC (Figure ), considering the intramolecular-locking strategy and heavy atom effect . Specifically, the novel molecular design involves employing the intramolecular-locking strategy to further enhance the molecular rigidity of triptycene-TADF molecules . Simultaneously, the heavy atom effect is harnessed to increase the SOC constants .…”

Section: Introductionmentioning

confidence: 99%

Enhancing Reverse Intersystem Crossing in Triptycene-TADF Emitters: Theoretical Insights into Reorganization Energy and Heavy Atom Effects

Lv,

Song,

et al. 2024

J. Phys. Chem. A

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Thermally activated delayed fluorescence (TADF) emitters based on the triptycene skeleton demonstrate exceptional performance, superior stability, and low efficiency roll-off. Understanding the interplay between the luminescent properties of triptycene-TADF molecules and their assembly environments, along with their excited-state characteristics, necessitates a comprehensive theoretical exploration. Herein, we predict the photophysical properties of triptycene-TADF molecules in a thin film environment using the quantum mechanics/molecular mechanics method and quantify their substantial dependency on the heavy atom effects and reorganization energies using the Marcus−Levich theory. Our calculated photophysical properties for two recently reported molecules closely align with experimental values. We design three novel triptycene-TADF molecules by incorporating chalcogen elements (O, S, and Se) to modify the acceptor units. These newly designed molecules exhibit reduced reorganization energies and enhanced reverse intersystem crossing (RISC) rates. The heavy atom effect amplifies spin−orbit coupling, thereby facilitating the RISC process, particularly at a remarkably high rate of ∼10 9 s −1 .

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Role of the Intramolecular‐Locking Strategy in the Construction of Organic Thermally Activated Delayed Fluorescence Emitters with Rotation‐Restricted Acceptors

Abstract: Figure 3. Intramolecular-locking strategy throughout the design of flexible TADF acceptor units or triphenylamine units.

Cited by 17 publications

References 192 publications

Photophysical investigation into room-temperature emission from xanthene derivatives

Photophysical investigation into room-temperature emission from xanthene derivatives

Enhancing Light-Emitting Efficiency of Blue Through-Space Charge Transfer Emitters via Fixing Configuration Induced by Intramolecular Hydrogen Bonding

Enhancing Reverse Intersystem Crossing in Triptycene-TADF Emitters: Theoretical Insights into Reorganization Energy and Heavy Atom Effects

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