Highly Efficient Thermally Activated Delayed Fluorescence from Pyrazine-Fused Carbene Au(I) Emitters

Yang，Jian Gong1,2; Song，Xiu Fang3; Wang，Jian4; Li，Kai2; Chang，Xiaoyong5; Tan，Li Ying1; Liu，Chu Xuan1,6; Yu，Fei Hu1,6; Cui，Ganglong3; Cheng，Gang7,8; To，Wai Pong7; Yang，Chuluo2; Che，Chi Ming7,8; Chen，Yong1,6

2021

10.1002/chem.202102969

CHEMISTRY-A EUROPEAN JOURNAL   影响因子和分区

0947-6539

1521-3765

Metal-based thermally activated delayed fluorescence (TADF) is conceived to inherit the advantages of both phosphorescent metal complexes and purely organic TADF compounds for high-performance electroluminescence. Herein a panel of new TADF Au(I) emitters has been designed and synthesized by using carbazole and pyrazine-fused nitrogen-heterocyclic carbene (NHC) as the donor and acceptor ligands, respectively. Single-crystal X-ray structures show linear molecular shape and coplanar arrangement of the donor and acceptor with small dihedral angles of <6.5°. The coplanar orientation and appropriate separation of the HOMO and LUMO in this type of molecules favour the formation of charge-transfer excited state with appreciable oscillator strength. Together with a minor but essential heavy atom effect of Au ion, the complexes in doped films exhibit highly efficient (Φ∼0.9) and short-lived (<1 μs) green emissions via TADF. Computational studies on this class of emitters have been performed to decipher the key reverse intersystem crossing (RISC) pathway. In addition to a small energy splitting between the lowest singlet and triplet excited states (ΔE), the spin-orbit coupling (SOC) effect is found to be larger at a specific torsion angle between the donor and acceptor planes which favours the RISC process the most. This work provides an alternative molecular design to TADF Au(I) carbene emitters for OLED application.

gold complex high emission efficiency metal TADF nitrogen-heterocyclic carbene short lifetime

SCI ; EI

英语

其他

Natural Science Foundation of China[22170513,21971250,21801170] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDB17000000] ; Guangdong Major Project of Basic and Applied Basic Research[2019B030302009] ; Shenzhen Technology and Innovation Commission["JCYJ20200109150414471","JCYJ20190808172203553"] ; Department of Science and Technology of Guangdong Province[2019QN01C617]

Chemistry

Chemistry, Multidisciplinary

WOS:000717738300001

WILEY-V C H VERLAG GMBH

20214611157537

Charge transfer ; Dihedral angle ; Excited states ; Fluorescence ; Gold compounds ; Ligands ; Metal complexes ; Nitrogen ; Single crystals ; Synthesis (chemical)

Aircraft, General:652.1 ; Light/Optics:741.1 ; Physical Chemistry:801.4 ; Chemical Reactions:802.2 ; Chemical Products Generally:804 ; Organic Compounds:804.1 ; Inorganic Compounds:804.2 ; Atomic and Molecular Physics:931.3 ; Quantum Theory; Quantum Mechanics:931.4 ; Crystalline Solids:933.1

CHEMISTRY

2-s2.0-85118956681

Scopus

1.Key Laboratory of Photochemical Conversion and Optoelectronic Materials &,CAS-HKU Joint Laboratory on New Materials,Technical Institute of Physics and Chemistry,Chinese Academy of Sciences,Beijing,100190,China
2.College of Materials Science and Engineering,Shenzhen University,Shenzhen,518055,China
3.Key Laboratory of Theoretical and Computational Photochemistry,Ministry of Education,Chemistry College,Beijing Normal University,Beijing,100875,China
4.Institute of Theoretical Chemistry,College of Chemistry,Jilin University,Changchun,130023,China
5.Department of Chemistry,Southern University of Science and Technology,Shenzhen,518055,China
6.University of Chinese Academy of Sciences,Beijing,100049,China
7.State Key Laboratory of Synthetic Chemistry,CAS-HKU Joint Laboratory on New Materials,Department of Chemistry,The University of Hong Kong,Pokfulam Road,Hong Kong
8.Hong Kong Quantum AI Lab Limited,17 Science Park West Avenue, Pak Shek Kok,Hong Kong

Yang，Jian Gong,Song，Xiu Fang,Wang，Jian,et al. Highly Efficient Thermally Activated Delayed Fluorescence from Pyrazine-Fused Carbene Au(I) Emitters[J]. CHEMISTRY-A EUROPEAN JOURNAL,2021,27:17834-17842.

Yang，Jian Gong.,Song，Xiu Fang.,Wang，Jian.,Li，Kai.,Chang，Xiaoyong.,...&Chen，Yong.(2021).Highly Efficient Thermally Activated Delayed Fluorescence from Pyrazine-Fused Carbene Au(I) Emitters.CHEMISTRY-A EUROPEAN JOURNAL,27,17834-17842.

Yang，Jian Gong,et al."Highly Efficient Thermally Activated Delayed Fluorescence from Pyrazine-Fused Carbene Au(I) Emitters".CHEMISTRY-A EUROPEAN JOURNAL 27(2021):17834-17842.