An oxygen-bridged triarylamine polycyclic unit based tris-cyclometalated heteroleptic iridium(iii) complex: correlation between the structure and photophysical properties

Li Qiuxia; Zhang Xinghua; Cao Yibo; Shi Chao; Tao Peng; Zhao Qiang; Yuan Aihua

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An oxygen-bridged triarylamine polycyclic unit based tris-cyclometalated heteroleptic iridium(iii) complex: correlation between the structure and photophysical properties

机译：基于氧桥三芳基胺多环基的Tris-环状异素铱（III）复合物：结构与光学性质之间的相关性

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A novel oxygen-bridged triarylamine polycyclic unit based tris-cyclometalated heteroleptic iridium(iii) complex (Ir-NO) has been designed and prepared. Similar iridium(iii) complexes (Ir-N and Ir-O) have also been prepared for comparison. The single crystal structure indicates that the oxygen-bridged triarylamine polycyclic unit of Ir-NO shows certain planarity, resulting in obvious rigidity and interesting - stacking. Additionally, Ir-NO shows a larger redshift emission (586 nm) and a longer emission lifetime (628 ns) than Ir-N (525 nm, 344 ns) and Ir-O (543 nm, 436 ns), and the phosphorescence color can be tuned from green to orange. Electrochemical experiments and DFT calculations reveal that Ir-NO exhibits a high HOMO energy level and intraligand charge transfer ((ILCT)-I-3) excited state properties, which is in contrast to the low HOMO energy level and metal-to-ligand charge transfer ((MLCT)-M-3) excited state properties in Ir-N and Ir-O. This result can be attributed to the strong electron-donating ability of the unit.

机译：设计并制备了一种基于新的氧桥桥三芳基聚氨酸多环（III）复合物（III）复合物（III）复合物（III）。还制备了类似的铱（III）配合物（IR-N和IR-O）进行比较。单晶结构表明IR-No的氧桥桥三芳基多环单元显示了某种平面，导致明显的刚性和有趣的堆叠。另外，IR-No显示较大的红移发射（586nm）和比IR-N（525nm，344ns）和IR-O（543nm，436ns）和磷光颜色更长的发射寿命（628ns）和磷光颜色可以从绿色调谐到橙色。电化学实验和DFT计算揭示了IR-No表现出高同色的能量水平和Intraligand电荷转移（（ILCT）-i-3）激发状态性质，其与低同色能水平和金属至配体电荷相反IR-N和IR-O中的传递（（MLCT）-M-3）激发状态特性。该结果可归因于该单元的强电子捐赠能力。

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来源
《Dalton transactions: An international journal of inorganic chemistry》 |2019年第14期|共6页
作者
Li Qiuxia; Zhang Xinghua; Cao Yibo; Shi Chao; Tao Peng; Zhao Qiang; Yuan Aihua;
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作者单位

Jiangsu Univ Sci &

Technol Sch Mat Sci &

Engn Zhenjiang 212003 Jiangsu Peoples R China;

Jiangsu Univ Sci &

Technol Sch Environm &

Chem Engn Zhenjiang 212003 Jiangsu Peoples R China;

Jiangsu Univ Sci &

Technol Sch Environm &

Chem Engn Zhenjiang 212003 Jiangsu Peoples R China;

Jiangsu Univ Sci &

Technol Sch Mat Sci &

Engn Zhenjiang 212003 Jiangsu Peoples R China;

NUPT Key Lab Organ Elect &

Informat Displays Nanjing 210023 Jiangsu Peoples R China;

NUPT Key Lab Organ Elect &

Informat Displays Nanjing 210023 Jiangsu Peoples R China;

Jiangsu Univ Sci &

Technol Sch Mat Sci &

Engn Zhenjiang 212003 Jiangsu Peoples R China;

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正文语种 eng
中图分类化学;无机化学;
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1. An oxygen-bridged triarylamine polycyclic unit based tris-cyclometalated heteroleptic iridium(iii) complex: correlation between the structure and photophysical properties [J] . Li Qiuxia, Zhang Xinghua, Cao Yibo, Dalton transactions: An international journal of inorganic chemistry . 2019,第14期

机译：基于氧桥三芳基胺多环基的Tris-环状异素铱（III）复合物：结构与光学性质之间的相关性
2. Stereospecific Synthesis of Tris-heteroleptic Tris-cyclometalated Iridium(III) Complexes via Different Heteroleptic Halogen-Bridged Iridium(III) Dimers and Their Photophysical Properties [J] . Yuichi Tamura, Yosuke Hisamatsu, Ayami Kazama, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2018,第8期

机译：通过不同的异氟卤桥铱（III）二聚体及其光性学性能的立体特异性合成Tris-verlo-Cyner ris-Cyneriumated铱（III）配合物
3. Photophysical and electrochemical properties of heteroleptic tris-cyclometalated iridium(III) complexes [J] . Dedeian K, Shi JM, Shepherd N, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2005,第13期

机译：杂配三环金属化铱（III）配合物的光物理和电化学性质
4. Synthesis and Photophysical Properties of Charged Iridium(III) Cyclometallates Based on Hole-transporting Carbazole Unit [C] . Guiping Tan, Hongbo Fan, Wai-Yeung Wong International Conference on Advanced Design and Manufacturing Engineering . 2014

机译：基于空穴输送咔唑单元的带电铱（III）环晶的合成与光物理性能
5. Photophysical properties of ortho-metalated monomeric and dimeric complexes containing rhodium(III) and iridium(III) metal centers. [D] . Marshall, Jason Alexander. 2002

机译：含铑（III）和铱（III）金属中心的邻金属化单体和二聚配合物的光物理性质。
6. Tuning the Photophysical and Excited State Properties of Phosphorescent Iridium(III) Complexes by Polycyclic Unit Substitution [O] . Cuicui Wu, Qiuxia Li, Xinghua Zhang, 2019

机译：通过多环单元取代调节磷光铱（III）配合物的光物理和激发态性质
7. Theoretical perspective on the electronic structure and photophysical properties for a series of mixed-carbene tris-cyclometalated iridium(iii) complexes [O] . Jiawei Li, Deming Han, Jing Gao, 2020

机译：一系列混合卡蛋白三环硫化铱（III）配合物的电子结构和光物理性质的理论透视

An oxygen-bridged triarylamine polycyclic unit based tris-cyclometalated heteroleptic iridium(iii) complex: correlation between the structure and photophysical properties

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