Tuning Intramolecular Stacking of Rigid Heteroaromatic Compounds for High‐Efficiency Deep‐Blue Through‐Space Charge‐Transfer Emission

Zhao, Zhennan; Zeng, Cheng; Peng, Xiaomei; Liu, Yuchao; Zhao, Haisong; Hua, Lei; Su, Shi‐Jian; Yan, Shouke; Ren, Zhongjie

doi:10.1002/ange.202210864

Cited by 7 publications

(1 citation statement)

References 56 publications

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“…In addition, the QAC-BO-based OLED showed an EQE of 15.8%, becoming the first highly efficient ultrapure blue light-emitting TSCT-TADF material. 34 To explore the relationship between the TADF properties and the TSCT structure for these molecules, and to obtain new molecules with better performance, herein, we selected the non-TADF molecule CZ-BO (1) and TADF molecule QAC-BO (2) for theoretical study and designed a series of derivatives 3−6 by changing the donor fragment (as shown in Figure 1).…”

Section: Introductionmentioning

confidence: 99%

Theoretical Study and Design for Thermally Activated Delayed Fluorescence Emitters with Through-Space Charge Transfer from an Acridine Derivative Donor to an O-Bridged Triphenylboron Boroxy Acceptor

Pei,

Tang,

Liu

et al. 2024

Inorg. Chem.

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The through-space charge transfer thermally activated delayed fluorescence (TSCT-TADF) properties of a series of molecules were characterized and tested theoretically by density functional theory and timedependent density functional theory. By analyzing the weak interaction of the molecules at the ground state and calculating the transition contribution ratio of the donor, acceptor, and bridge in the excited state, we verified the through-space charge transfer characteristic of these molecules. We designed new molecules on the basis of the reported molecules (non-TADF molecule 1 and TADF molecule 2) to improve the performance. Smaller singlet− triplet energy gaps and larger spin−orbit coupling were obtained in the designed molecules, which is beneficial to obtain higher intersystem crossing and reverse intersystem crossing rates (k RISC ). In addition, we calculated the radiation rate and the singlet−triplet reorganization energy, which is used to characterize the nonradiation rate. The comprehensive evaluation of both radiative and nonradiative processes shows that molecules 4 and 6 have the potential to be highly efficient TSCT-TADF materials.

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Section: Introductionmentioning

confidence: 99%

Theoretical Study and Design for Thermally Activated Delayed Fluorescence Emitters with Through-Space Charge Transfer from an Acridine Derivative Donor to an O-Bridged Triphenylboron Boroxy Acceptor

Pei,

Tang,

Liu

et al. 2024

Inorg. Chem.

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Modified Intramolecular‐Lock Strategy Enables Efficient Thermally Activated Delayed Fluorescence Emitters for Non‐Doped OLEDs

et al. 2022

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The development of intramolecular-lock strategy is an appealing task for designing efficient thermally activated delayed fluorescence (TADF) molecules, but only limited examples have been reported so far. Herein we present a "medium ring"-lock strategy to develop TADF emitters for improving the efficiency of organic light-emitting diodes (OLEDs). The installation of an electron-deficient heptagonal diimide lock onto a highly rotatable biphenyl-based emitter not only enhances electron-withdrawing ability of acceptor that decreases singlet-triplet energy gap (ΔE ST ), but also endows the skeleton with modest rigidity and flexibility that increases photoluminescence quantum yield (PLQY) in neat film. In particular, the integration of the diimide lock also leads to an increase in horizontal orientation factor (Θ // ) from 69 % to 83 %. Consequently, this modified intramolecular-lock strategy enables an efficient TADF emitter to assemble high-performance nondoped OLEDs with a high external quantum efficiency of 26.2 % and a power efficiency of 76.6 lm W À 1 .

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Through‐Space Charge‐Transfer Organogold(III) Complexes Enable High‐Performance X‐ray Scintillation and Imaging

Chen,

Xu,

Ying

et al. 2024

Angewandte Chemie

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Organic scintillators have recently attracted growing attention for X‐ray detection in industrial and medical applications. However, these materials still face critical obstacles of low attenuation efficiency and/or inefficient triplet exciton utilization. Here we developed a new category of organogold(III) complexes, Tp‐Au‐1 and Tp‐Au‐2, through adopting a through‐space interaction motif to realize high X‐ray attenuation efficiency and efficient harvesting of triplet excitons for emission. Thanks to the efficient through‐space charge transfer process, this panel of complexes achieved higher photoluminescence quantum yield and shorter radiative lifetimes compared with the through‐bond reference complexes. Inspiringly, these organogold(III) complexes exhibited polarity‐dependent emission origins: thermally activated delayed fluorescence and/or phosphorescence. Under X‐ray irradiation, Tp‐Au‐2 manifested intense radioluminescence together with a record‐high scintillation light yield of 77,600 photons MeV‐1 for organic scintillators. The resulting scintillator screens demonstrated high‐quality X‐ray imaging with >16.0 line pairs mm–1 spatial resolution, outstripping most organic and inorganic scintillators. This finding provides a feasible strategy for the design of superior organic X‐ray scintillators.

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Tuning Intramolecular Stacking of Rigid Heteroaromatic Compounds for High‐Efficiency Deep‐Blue Through‐Space Charge‐Transfer Emission

Cited by 7 publications

References 56 publications

Theoretical Study and Design for Thermally Activated Delayed Fluorescence Emitters with Through-Space Charge Transfer from an Acridine Derivative Donor to an O-Bridged Triphenylboron Boroxy Acceptor

Theoretical Study and Design for Thermally Activated Delayed Fluorescence Emitters with Through-Space Charge Transfer from an Acridine Derivative Donor to an O-Bridged Triphenylboron Boroxy Acceptor

Modified Intramolecular‐Lock Strategy Enables Efficient Thermally Activated Delayed Fluorescence Emitters for Non‐Doped OLEDs

Through‐Space Charge‐Transfer Organogold(III) Complexes Enable High‐Performance X‐ray Scintillation and Imaging

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