Guo‐Xi Yang

South China University of Technology

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Shi‐Jian Su

South China University of Technology

Zhihai Yang

South China University of Technology

Yiyang Gan

South China University of Technology

Qing‐Xiao Tong

Shantou University

Deli Li

University of Jinan

Xiaomei Peng

South China University of Technology

Simin Jiang

South China University of Technology

Weidong Qiu

South China University of Technology

Kunkun Liu

South China University of Technology

Mengke Li

South China University of Technology

Cooperative Institutions

South China University of Technology

Shantou University

Chinese Academy of Sciences

City University of Hong Kong

State Key Laboratory of Luminescent Materials and Devices

Jilin University

University of Chinese Academy of Sciences

Peking University

Huazhong University of Science and Technology

Zhejiang University

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CCDC 2125146: Experimental Crystal Structure Determination

The Cambridge Structural Database (2023)

Hong‐Ji Tan Guo‐Xi Yang Ying‐Lan Deng Chen Cao Jihua Tan

An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

10.5517/ccdc.csd.cc29bd35

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CCDC 1948948: Experimental Crystal Structure Determination

The Cambridge Structural Database (2020)

Jie‐Ji Zhu Yuwen Chen Yonghong Xiao Xin Lian Guo‐Xi Yang

10.5517/ccdc.csd.cc23f19x

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Delocalized Nonbonding Orbitals of Thioxanthone in Polycyclic Aromatic Hydrocarbons for Reduced Energy Gap and Narrowband Emission

Angewandte Chemie (2025)

Zhihai Yang Denghui Liu Xiangyi Cheng Tong Wang Zhizhi Li

Chalcogen‐containing carbonyls, specifically thioxanthone (TX), hold great potential in organic light‐emitting diodes (OLEDs). While the development of narrowband OLEDs with chalcogen‐containing carbonyls remains challenging due to difficulties in achieving both high device efficiency and narrow emission spectra. Herein, via a strategic incorporation of the TX moiety, two orange‐red narrowband emitters, 2TXBN and BNTXBN, are designed and synthesized for the first time. Both 2TXBN and BNTXBN exhibit bright orange‐red emissions with peaks at 582 and 585 nm, respectively, along with narrow full widths at half maximum of 30 and 32 nm. Notably, 2TXBN demonstrates delocalization of the nonbonding orbital within the TX segment, which raises the first triplet energy level and reduces the singlet‐triplet energy gap. This electronic structural adjustment effectively shortens the delayed fluorescence lifetime, leading to enhanced device performance. Accordingly, OLED employing 2TXBN as the emitter achieves remarkable performance, with a maximum external quantum efficiency of 31.0%, a current efficiency of 69.0 cd A‐1, and a power efficiency of 76.0 lm W‐1, highlighting the efficacy of the nonbonding orbital delocalization strategy in achieving bathochromic‐shifted narrowband OLED materials.

Thioxanthone

Narrowband

10.1002/ange.202423602

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Three-Dimensional Structure Constructed via Hydrogen Bonds and π-π Stacking Interaction. Crystal Structure of [Cu(AFO)2(H2O)2](ClO4)2.2(AFO).2H2O (AFO = 4,5-Diazafluoren-9-one)

Crystal Research and Technology (2000)

Guo‐Xi Yang X.-L. Yu Xiu-Shuai Chen Limei Ji

The structure of the title complexes [Cu(AFO)2(H2O)2](ClO4)2.2(AFO).2H2O (AFO = 4,5-Diazafluoren-9-one)has been established by single-crystal X-ray diffraction. The complex crystallizes in the triclinic space group P-1 with cell constants a = 7.659(3) Å, b = 11.066(3) Å, c = 14.203(5) Å, alpha = 75.16(3)°, β = 79.87(3)°, gamma = 85.71(3)°, Z = 1. The structure was solved by direct methods and refined to R1 = 0.0595 (wR2 = 0.1164). The X-ray analysis reveals that a pair of AFO ligands chelate to a Cu(II) atom in an asymmetric fashion with one Cu-N bond being much longer than the other, the Cu(II) atom is further coordinated by a pair of aqua ligands to form an elongated octahedral geometry. In the crystal of the complex, the mononuclear complex cations [Cu(AFO)2(H2O)2]2+, uncoordinated AFO molecules, lattice water molecules and perchlorate anions are assembled into 3-D structure via hydrogen bonds and π-π stacking interaction.

Triclinic crystal system

Perchlorate

10.1002/1521-4079(200008)35:8<993::aid-crat993>3.0.co;2-v

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CCDC 2202752: Experimental Crystal Structure Determination

The Cambridge Structural Database (2024)

Hong-Ji Tan Jie‐Rong Yu Zhi-Zhong Lin Guo‐Xi Yang Zhi-Qiang Long

10.5517/ccdc.csd.cc2cy4j0

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CCDC 2202751: Experimental Crystal Structure Determination

The Cambridge Structural Database (2024)

Hong-Ji Tan Jie‐Rong Yu Zhi-Zhong Lin Guo‐Xi Yang Zhi-Qiang Long

10.5517/ccdc.csd.cc2cy4hz

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Planar D-σ-A type thermally activated delayed fluorescence material with Intra- and intermolecular charge transfer characteristics

Chemical Engineering Journal (2022)

Simin Jiang Jianyin Lin Deli Li Mengke Li Yan‐Mei He

Intersystem crossing

Diphenylamine

Acceptor

10.1016/j.cej.2022.139201

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Sulfone‐Embedded Heterocyclic Narrowband Emitters with Strengthened Molecular Rigidity and Suppressed High‐Frequency Vibronic Coupling

Angewandte Chemie International Edition (2023)

Simin Jiang Yue Yu Deli Li Zijian Chen Yan‐Mei He

Sulfone-embedded heterocyclics are of great interest in organic light-emitting diodes (OLEDs), however, exploring highly efficient narrowband emitters based on sulfone-embedded heterocyclics remains challenging. Herein, five emitters with different sulfur valence state and molecular rigidity, namely tP, tCPD, 2tCPD, tPD and tPT, are thoroughly analysed. With restricted twisting of flexible peripheral phenyl by strengthening molecular rigidity, molecular emission spectra can be enormously narrowed. Further, introducing the sulfone group with bending vibration in low-frequency region that suppresses high-frequency vibration, sharp narrow full-widths at half-maximum of 28 and 25 nm are achieved for 2tCPD and tPD, respectively. Maximum external quantum efficiencies of 22.0 % and 27.1 % are successfully realized for 2tCPD- and tPD-based OLED devices. These results offer a novel design strategy for constructing narrowband emitters by introducing sulfone group into a rigid molecular framework.

Sulfone

Narrowband

Rigidity (electromagnetism)

Vibronic coupling

Flexural rigidity

10.1002/anie.202218892

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Citations (34)

Triplet–Triplet Annihilation Enhanced Deep‐Blue Organic Light‐Emitting Diodes by Naphtho[1,2‐d]imidazole‐Isomer Derivatives with Spin–Orbit Coupling

Advanced Optical Materials (2023)

Guo‐Xi Yang Deng‐Hui Liu Qing Gu Xiaomei Peng Deli Li

Abstract The utilization of triplet excitons is of great importance for organic light‐emitting diodes (OLEDs). Triplet–triplet annihilation (TTA) is one of the effective tactics to achieve high efficiency deep‐blue organic electroluminescence emitters by converting two triplet excitons into one singlet exciton. Whereas, in addition to the 25% electrogenerated singlet excitons, the proportion of radiative singlet excitons (RSE) produced by the TTA process is usually only 15%; thus the total radiative excitons are 40%. In this study, ≈35% of RSE is achieved by the TTA process (total 60%) with two deep‐blue emitters based on the isomeric naphthoimidazole (NI) unit and anthracene bridge. As a result, non‐doped OLEDs based on the two NI derivatives as emitting layers achieve maximum external quantum efficiencies of 10.9% and 11.2% with an identical deep‐blue emission peak of 452 nm, which are the best TTA OLEDs with a Commission Internationale de l'Eclairage chromaticity Y coordinate below 0.15. Theoretical and experimental results demonstrate that the TTA process can be improved owing to the efficient spin–orbit interactions, even though the energy levels of the triplet pairs are higher than the calculated second triplet excited states.

Annihilation

Chromaticity

Quantum Efficiency

Quantum yield

HOMO/LUMO

10.1002/adom.202300455

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Constructing Highly Efficient Blue OLEDs with External Quantum Efficiencies up to 7.5 % Based on Anthracene Derivatives

Chemistry - A European Journal (2021)

Xu‐Hui Zheng Tingting Huang Guo‐Xi Yang An‐Qi Lin Keng Chen

Abstract Acquiring desirable device performance with deep‐blue color purity that fulfills practical application requirements is still a challenge. Bipolar fluorescent emitters with hybrid local and charge transfer (HLCT) state may serve to address this issue. Herein, by inserting anthracene core in the deep‐blue building blocks, the authors successfully developed two highly twisted D‐π‐A fluorescent emitters, ICz‐An‐PPI and IP‐An‐PPI , featuring different acceptor groups. Both exhibited superb thermal stabilities, high photo luminescent quantum yields and excellent bipolar transport capabilities. The non‐doped OLEDs using ICz‐An‐PPI and IP‐An‐PPI as the emitting layers showed efficient blue emission with an external quantum efficiency (EQE max ) of 4.32 % and 5.41 %, and the CIE coordinates of (0.147, 0.180) and (0.149, 0.150), respectively. In addition, the deep blue doped device based on ICz‐An‐PPI was achieved with an excellent CE max of 5.83 cd A −1 , EQE max of 4.6 % and the CIE coordinate of (0.148, 0.078), which is extremely close to the National Television Standards Committee (NTSC) standard. Particularly, IP‐An‐PPI ‐based doped device had better performance, with an EQE max of 7.51 % and the CIE coordinate of (0.150, 0.118), which was very impressive among the recently reported deep‐blue OLEDs with the CIE y <0.12. Such high performance may be attributed to the hot exciton HLCT mechanism via T 7 to S 2 . Our work may provide a new approach for designing high‐efficiency deep‐blue materials.

Quantum Efficiency

Acceptor

10.1002/chem.202103012

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Citations (18)