Synthesis, Structure and Photoluminescence of a Cu2I2 Complex with an Acridine-modified Diimine Ligand

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A dinuclear cuprous complex [(mapypz)Cu(μ-I)2Cu(mapypz)] (1, mapypz = 9,9-dimethyl-10-(6-(3- phenyl-1H-pyrazol-1-yl)-pyridin-3-yl)-9,10-dihydroacridine) was synthesized from the reaction of equivalent CuI and mapypz at room temperature. The compound crystallizes in monoclinic space group P21/c with a = 13.8300(4), b = 9.5365(2), c = 19.0833(5) Å, β = 103.017(3)º, V = 2452.23(11) Å3, Z = 2, Mr = 1237.92, Dc = 1.677 g/cm3, F(000) = 1232, μ = 11.334 mm–1, GOOF = 1.001, the final R = 0.0330, and wR = 0.0741 for 4627 observed reflections with I > 2σ(I). The Cu(I) atoms in the complex are four-coordinated with a distorted tetrahedral coordination geometry. The copper centers in the molecular structure are bridged by two iodide anions and each Cu(I) is chelated further terminally by a diimine ligand. The [Cu(μ-I)2Cu] core is planar. In the solid state, the complex exhibits orange photoluminescence with emission peak λmax = 568 nm, lifetime τ = 16 μs and quantum yield ф = 0.22 at room temperature. The studies of varied temperature emission spectra and decay behaviours of the complex indicate that it displays thermally activated delayed fluorescence at room temperature. The results of experimental and DFT calculations suggest that the emission in the solid state originates from the 1,3MLCT excited states.

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	郭幼红
	赵东升
	石焱芳
	张玲玲
	余荣民

关键词 ： binuclear cuprous complex, crystal structure, emissive property, DFT calculation

Abstract：

Key words： binuclear cuprous complex crystal structure emissive property DFT calculation

收稿日期: 2019-07-29 出版日期: 2020-07-14

基金资助:This project was supported by the NSF 21671190

通讯作者: guo-youhong@163.com E-mail: guo-youhong@163.com

引用本文:

郭幼红;赵东升;石焱芳;张玲玲;余荣民. Synthesis, Structure and Photoluminescence of a Cu2I2 Complex with an Acridine-modified Diimine Ligand[J]. 结构化学, 2020, 39(07): 1288-1294.
GUO You-Hong;ZHAO Dong-Sheng;SHI Yan-Fang;ZHANG Ling-Ling;YU Rong-Min. Synthesis, Structure and Photoluminescence of a Cu2I2 Complex with an Acridine-modified Diimine Ligand. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2020, 39(07): 1288-1294.

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http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2020/V39/I07/1288

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