Stairstep Cu4I4 cluster with n-butyldimethylsilyl thiophenyl triphosphine: Structure and photophysical properties

IF 3.6 3区物理与天体物理 Q2 OPTICS

Journal of Luminescence Pub Date : 2026-05-01 Epub Date: 2026-02-06 DOI:10.1016/j.jlumin.2026.121789

Han Yang , Ruiqin Zhu , Li Liu , Xin-Xin Zhong , Fa-Bao Li , Guijiang Zhou , Hai-Mei Qin

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引用次数: 0

Abstract

Highly efficient OLEDs fabricated with mononuclear Cu(I) halide complexes containing rigid aryl triphosphine ligands have attracted much attention. However, there are no reports on copper halide clusters containing rigid triphosphine ligands. Here, one rigid triphosphine ligand L1 and one tetranuclear copper(I) iodide stairstep cluster 1 [Cu₄I₄(L1)₂, L1 = (2-PPh₂-5-Si(n-Bu)Me₂-C₄HS)₂ (3-PPh)], were successfully synthesized. At room temperature, cluster 1 in powder emits yellow green delayed fluorescence (λ_em = 554 nm, τ = 4.9 μs, Φ = 0.25), and at 77 K, it emits yellow green phosphorescence (λ_em = 543 nm, τ = 104 μs). Based on the TDDFT calculations, the emission of cluster 1 mainly originates from metal-to-ligand charge transfer (MLCT) and halogen-to-ligand charge transfer (XLCT). Cluster 1 shows good thermal stability with the onset decomposition temperature (T_dec) of 421 °C. Cluster 1-based solution-processed devices exhibit greenish yellow light with the highest EQE of 2.30% and the maximum luminance of 1661 cd m⁻².

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含正丁基二甲基硅基噻吩三膦的阶梯Cu4I4簇：结构和光物理性质

用含有刚性芳基三膦配体的单核卤化物配合物制备高效有机发光二极管引起了人们的广泛关注。然而，没有关于含有刚性三膦配体的卤化铜簇的报道。本文成功合成了1个刚性三膦配体L1和1个四核碘化铜阶梯簇1 [Cu4I4(L1)2, L1 = (2- pph2 -5- si (n-Bu)Me2-C4HS)2 (3-PPh)]。粉末中的团簇1在室温下发出黄绿色延迟荧光（λem = 554 nm, τ = 4.9 μs， Φ = 0.25），在77 K时发出黄绿色延迟荧光（λem = 543 nm, τ = 104 μs）。根据TDDFT计算，簇1的发射主要来源于金属到配体的电荷转移（MLCT）和卤素到配体的电荷转移（XLCT）。簇1具有良好的热稳定性，起始分解温度（Tdec）为421℃。基于簇1的溶液处理器件呈现出黄绿色光，EQE最高为2.30%，最大亮度为1661 cd m−2。

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来源期刊

Journal of Luminescence 物理-光学

CiteScore

6.70

自引率

13.90%

发文量

850

审稿时长

3.8 months

期刊介绍： The purpose of the Journal of Luminescence is to provide a means of communication between scientists in different disciplines who share a common interest in the electronic excited states of molecular, ionic and covalent systems, whether crystalline, amorphous, or liquid. We invite original papers and reviews on such subjects as: exciton and polariton dynamics, dynamics of localized excited states, energy and charge transport in ordered and disordered systems, radiative and non-radiative recombination, relaxation processes, vibronic interactions in electronic excited states, photochemistry in condensed systems, excited state resonance, double resonance, spin dynamics, selective excitation spectroscopy, hole burning, coherent processes in excited states, (e.g. coherent optical transients, photon echoes, transient gratings), multiphoton processes, optical bistability, photochromism, and new techniques for the study of excited states. This list is not intended to be exhaustive. Papers in the traditional areas of optical spectroscopy (absorption, MCD, luminescence, Raman scattering) are welcome. Papers on applications (phosphors, scintillators, electro- and cathodo-luminescence, radiography, bioimaging, solar energy, energy conversion, etc.) are also welcome if they present results of scientific, rather than only technological interest. However, papers containing purely theoretical results, not related to phenomena in the excited states, as well as papers using luminescence spectroscopy to perform routine analytical chemistry or biochemistry procedures, are outside the scope of the journal. Some exceptions will be possible at the discretion of the editors.