Preparation, crystal structure, time-dependent density theory and properties of a novel organic-inorganic hybrid up-conversion luminescence tetranuclear complex

Wen-Quan Zeng, Wei Huang, Chuan-Hui He, Rong Zou, Wei-Kang Jin, X. Yi, Kun Yang
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引用次数: 0

Abstract

A novel up-conversion luminescence tetranuclear sodium complex [Na4(5-(carboxymethyl 2-oxo-propyl) amino isophthalic acid)(H2O)9] is synthesized by a solvothermal reaction, and its crystal structure is determined by single-crystal X-ray diffraction. The title complex crystallizes as a triclinic system with the P 1 ¯ space group and exists as an isolated tetranuclear complex. Numerous intermolecular hydrogen bonds and van der waals forces form a three-dimensional supramolecular network. Solid-state diffuse reflectance data show that there is a wide optical band gap of 2.91 eV. The solid-state photoluminescence spectrum reveals that the complex shows an up-conversion emission in the blue region of the light spectrum. Time-dependent density functional theory calculations reveal that this emission can be attributed to ligand-to-ligand charge transfer.
一种新型有机-无机杂化上转换发光四核配合物的制备、晶体结构、时间依赖密度理论和性质
采用溶剂热反应合成了一种新型的上转换发光四核钠配合物[Na4(5-(羧甲基2-氧丙基)氨基间苯二甲酸)(H2O)9],并用单晶x射线衍射测定了其晶体结构。标题配合物结晶为具有p1¯空间群的三斜体系,并以孤立的四核配合物存在。大量的分子间氢键和范德华力形成了一个三维的超分子网络。固体漫反射数据表明,该材料具有2.91 eV的宽带隙。固体光致发光光谱显示,该配合物在光谱的蓝色区域呈上转换发射。随时间的密度泛函理论计算表明,这种发射可以归因于配体到配体的电荷转移。
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来源期刊
Journal of Chemical Research-s
Journal of Chemical Research-s 化学科学, 有机化学, 有机合成
自引率
0.00%
发文量
0
审稿时长
1 months
期刊介绍: The Journal of Chemical Research is a peer reviewed journal that publishes full-length review and research papers in all branches of experimental chemistry. The journal fills a niche by also publishing short papers, a format which favours particular types of work, e.g. the scope of new reagents or methodology, and the elucidation of the structure of novel compounds. Though welcome, short papers should not result in fragmentation of publication, they should describe a completed piece of work. The Journal is not intended as a vehicle for preliminary publications. The work must meet all the normal criteria for acceptance as regards scientific standards. Papers that contain extensive biological results or material relating to other areas of science may be diverted to more appropriate specialist journals. Areas of coverage include: Organic Chemistry; Inorganic Chemistry; Materials Chemistry; Crystallography; Computational Chemistry.
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