以三乙基铵为侧翼的单核和双核ni配合物的晶体结构和光物理性质。

Hai Le Thi Hong , Hien Nguyen , Duong Trinh Hong , Ninh Nguyen Hoang , Khanh Nguyen Nhat , Luc Van Meervelt
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The results showed that the ligands 2-(4-nitro­phen­yl)-4-phenyl­quinolin-8-ol (<strong>HOQ</strong>) and <em>N</em>,<em>N</em>′-bis­(2-hy­droxy­benzyl­idene)benzene-1,4-di­amine (<strong>H<sub>2</sub>BS</strong>) were deprotonated by tri­ethyl-amine, forming the counter-ion Et<sub>3</sub>NH<sup>+</sup>, which inter­acts <em>via</em> an N—H⋯O hydrogen bond with the ligand. The Zn<sup>II</sup> atoms have a distorted trigonal–pyramidal (<strong>ZnOQ</strong>) and distorted tetra­hedral (<strong>ZnBS</strong>) geometries with a coord­ination number of four, coordinating with the ligands <em>via</em> N and O atoms. The N atoms coordinating with Zn<sup>II</sup> correspond to the heterocyclic nitro­gen for the <strong>HOQ</strong> ligand, while for the <strong>H<sub>2</sub>BS</strong> ligand, it is the nitro­gen of the imine (CH=N). The crystal packing of <strong>ZnOQ</strong> is characterized by C—H⋯π inter­actions, while that of <strong>ZnBS</strong> by C—H⋯Cl inter­actions. 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引用次数: 0

摘要

合成了两个新的锌(II)配合物,(C6H16N){Zn(C21H13N2O3)Cl2] (ZnOQ)和(三乙基铵){2,2'-[1,4-苯基烯双(硝基-甲基-炔)]双-[二氯-锌(II)] (C6H16N)2[Zn2(C20H14N2O2)Cl4] (ZnBS),并利用ESI-MS谱、1H NMR波谱和单晶x射线衍射测定了它们的结构。结果表明,配体2-(4-硝基-苯基)-4-苯基-喹啉-8-醇(HOQ)和N,N'-双-(2-羟基苯基-二苯)- 1,4-二胺(H2BS)被三乙基胺去质子化,形成反离子Et3NH+,并通过N- h⋯O氢键与配体相互作用。ni原子具有畸变三角锥体(ZnOQ)和畸变四面体(ZnBS)的几何形状,配位数为4,通过N和O原子与配体配位。与ni配位的N原子对应于HOQ配体的杂环氮,而与H2BS配体的杂环氮对应于亚胺的氮(CH=N)。ZnOQ的晶体填充以C-H⋯π相互作用为特征,而ZnBS的晶体填充以C-H⋯Cl相互作用为特征。发射光谱表明,ZnBS配合物在固体状态下表现出绿色荧光,带隙能量小,而ZnOQ配合物表现出非荧光。
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Crystal structures and photophysical properties of mono- and dinuclear ZnII complexes flanked by tri­ethyl­ammonium
Two new zinc(II) complexes, C21H13Cl2N2O3Zn·C6H16N (ZnOQ) and C20H14Cl4N2O2Zn·2C6H16N (ZnBS), were synthesized and their structures were determined using ESI–MS spectrometry, 1H NMR spectroscopy, and single-crystal X-ray diffraction.
Two new zinc(II) complexes, tri­ethyl­ammonium di­chlorido­[2-(4-nitro­phen­yl)-4-phenyl­quinolin-8-olato]zinc(II), (C6H16N){Zn(C21H13N2O3)Cl2] (ZnOQ), and bis­(tri­ethyl­ammonium) {2,2′-[1,4-phenyl­enebis(nitrilo­methyl­idyne)]diphenolato}bis­[di­chlorido­zinc(II)], (C6H16N)2[Zn2(C20H14N2O2)Cl4] (ZnBS), were synthesized and their structures were determined using ESI–MS spectrometry, 1H NMR spectroscopy, and single-crystal X-ray diffraction. The results showed that the ligands 2-(4-nitro­phen­yl)-4-phenyl­quinolin-8-ol (HOQ) and N,N′-bis­(2-hy­droxy­benzyl­idene)benzene-1,4-di­amine (H2BS) were deprotonated by tri­ethyl-amine, forming the counter-ion Et3NH+, which inter­acts via an N—H⋯O hydrogen bond with the ligand. The ZnII atoms have a distorted trigonal–pyramidal (ZnOQ) and distorted tetra­hedral (ZnBS) geometries with a coord­ination number of four, coordinating with the ligands via N and O atoms. The N atoms coordinating with ZnII correspond to the heterocyclic nitro­gen for the HOQ ligand, while for the H2BS ligand, it is the nitro­gen of the imine (CH=N). The crystal packing of ZnOQ is characterized by C—H⋯π inter­actions, while that of ZnBS by C—H⋯Cl inter­actions. The emission spectra showed that ZnBS complex exhibits green fluorescence in the solid state with a small band-gap energy, and the ZnOQ complex does exhibit non-fluorescence.
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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