Syntheses, crystal structures and fluorescence properties of zinc(II) and cadmium(II) complexes based on 2-phenoxyaniline Schiff base

IF 1.7 4区化学 Q3 CHEMISTRY, INORGANIC & NUCLEAR Transition Metal Chemistry Pub Date : 2024-10-22 DOI:10.1007/s11243-024-00612-8

Jiahui Cao, Zhiyu Jia, Wei Chen, Yangyang Song, Zhou Yu, Yuwei Dong

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Abstract

Three new mononuclear Zn^II and Cd^II complexes have been designed and synthesized by using 2-phenoxyaniline Schiff base as ligands. Complexes 1–3 have been characterized by elemental analysis, FT-IR, ¹H NMR, and single-crystal X-ray diffraction. The structures of complexes 1–3 were analyzed by single-crystal X-ray diffraction, and intermolecular hydrogen bonds (C–H···Cl and π···π stacking) were found to connect the mononuclear molecules, forming supramolecular structures. The relationships between their photophysical properties and structures were studied by UV–visible absorption spectroscopy and fluorescence spectroscopy. The maximum emission wavelengths of complexes 1–3 in solid state vary within the range of 494–533 nm, and they emit bright yellow-green fluorescence under UV lamp irradiation. These properties indicate that these complexes can be used as potential fluorescent materials. Also, the molecular orbital densities and different energy levels are obtained by using the density functional theory methods.

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基于2-苯氧苯胺席夫碱的锌（II）和镉（II）配合物的合成、晶体结构和荧光性质

以2-苯氧苯胺希夫碱为配体，设计合成了3个新的单核ni和CdII配合物。配合物1 ~ 3通过元素分析、FT-IR、1H NMR和单晶x射线衍射进行了表征。通过单晶x射线衍射分析了配合物1-3的结构，发现分子间氢键（C-H··Cl和π··π堆叠）连接了单核分子，形成了超分子结构。利用紫外-可见吸收光谱和荧光光谱研究了它们的光物理性质和结构之间的关系。配合物1-3在固体状态下的最大发射波长在494-533 nm范围内，在紫外灯照射下发出明亮的黄绿色荧光。这些性质表明这些配合物可以作为潜在的荧光材料。利用密度泛函理论方法，得到了分子轨道密度和不同能级。

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来源期刊

Transition Metal Chemistry 化学-无机化学与核化学

CiteScore

3.60

自引率

0.00%

发文量

审稿时长

1.3 months

期刊介绍： Transition Metal Chemistry is an international journal designed to deal with all aspects of the subject embodied in the title: the preparation of transition metal-based molecular compounds of all kinds (including complexes of the Group 12 elements), their structural, physical, kinetic, catalytic and biological properties, their use in chemical synthesis as well as their application in the widest context, their role in naturally occurring systems etc. Manuscripts submitted to the journal should be of broad appeal to the readership and for this reason, papers which are confined to more specialised studies such as the measurement of solution phase equilibria or thermal decomposition studies, or papers which include extensive material on f-block elements, or papers dealing with non-molecular materials, will not normally be considered for publication. Work describing new ligands or coordination geometries must provide sufficient evidence for the confident assignment of structural formulae; this will usually take the form of one or more X-ray crystal structures.