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解析九配位三元铕(III)配合物中的系间窜越和能量转移机制:光谱与理论相结合的研究

Deciphering intersystem crossing and energy transfer mechanisms in a nonacoordinated ternary europium(iii) complex: a combined spectroscopic and theoretical study.

作者信息

Al-Sharji Houda, Ilmi Rashid, Oliveira Willyan F, Al-Saadi Balqees S, Dutra José D L, Abou-Zied Osama K, Raithby Paul R, Khan Muhammad S

机构信息

Department of Chemistry, Sultan Qaboos University P. O. Box 36, Al Khod 123 Oman

Pople Computational Chemistry Laboratory, Department of Chemistry, UFS 49100-000 São Cristóvão Sergipe Brazil

出版信息

RSC Adv. 2024 Oct 15;14(44):32573-32582. doi: 10.1039/d4ra06727d. eCollection 2024 Oct 9.

DOI:10.1039/d4ra06727d
PMID:39411256
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11474895/
Abstract

A monochromatic red emitting nonacoordinate organoeuropium complex with the formula [Eu(hfaa)(Ph-TerPyr)] (Eu-1) incorporating hexafluoroacetylacetone (hfaa) primary ligands and a tridentate 4'-phenyl-2,2':6',2''-terpyridine (Ph-TerPyr) ancillary ligand has been synthesized. The complex was characterized by analytical and spectroscopic methods, and its structure was established by single crystal X-ray diffraction (SC-XRD) analysis at low temperature, which explicitly confirms that the coordination sphere is composed of a EuON core. Under the UV excitation, Eu-1 displayed typical red emission in solution with a long-excited state lifetime ( = 1048.06 ± 9.39 μs) with a good photoluminescence quantum yield ( = 41.14%). We have utilized pump-probe ultrafast transient absorption spectroscopy in tandem with the time-dependent density functional theory (TD-DFT) and the Lanthanide Luminescence Software Package (LUMPAC) to explore the intricate photophysical event that occurs in the vicinity of the ligands of Eu-1 sensitized photoluminescence (PL).

摘要

合成了一种发射单色红光的九配位有机铕配合物,其化学式为[Eu(hfaa)(Ph-TerPyr)](Eu-1),包含六氟乙酰丙酮(hfaa)主配体和三齿4'-苯基-2,2':6',2''-三联吡啶(Ph-TerPyr)辅助配体。通过分析和光谱方法对该配合物进行了表征,并通过低温单晶X射线衍射(SC-XRD)分析确定了其结构,明确证实配位球由EuON核组成。在紫外光激发下,Eu-1在溶液中表现出典型的红色发射,具有较长的激发态寿命( = 1048.06 ± 9.39 μs)和良好的光致发光量子产率( = 41.14%)。我们利用泵浦-探测超快瞬态吸收光谱技术,结合含时密度泛函理论(TD-DFT)和镧系发光软件包(LUMPAC),探索了Eu-1敏化光致发光(PL)配体附近发生的复杂光物理事件。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/13f58aacd5eb/d4ra06727d-f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/1eda9b925c34/d4ra06727d-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/965644aa956a/d4ra06727d-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/d2260b936870/d4ra06727d-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/9292128c77db/d4ra06727d-f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/66f1eff1320d/d4ra06727d-f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/13f58aacd5eb/d4ra06727d-f6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/1eda9b925c34/d4ra06727d-f1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/965644aa956a/d4ra06727d-f2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/d2260b936870/d4ra06727d-f3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/9292128c77db/d4ra06727d-f4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/66f1eff1320d/d4ra06727d-f5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8aa2/11474895/13f58aacd5eb/d4ra06727d-f6.jpg

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Two new red-emitting ternary europium(III) complexes with high photoluminescence quantum yields and exceptional performance in OLED devices.两种新型发红光的铕(III)三元配合物,具有高光致发光量子产率且在OLED器件中表现优异。
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Efficient Red Organic Light Emitting Diodes of Nona Coordinate Europium Tris(β-Diketonato) Complexes Bearing 4'-Phenyl-2,2':6',2''-Terpyridine.
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