Crystal structure, thermal and luminescent properties of the complex of zinc(II) acrylate and 4′-phenyl-2,2′:6′,2″-terpyridine

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2025-03-12 DOI:10.1016/j.ica.2025.122649

Rose K. Baimuratova , Evgeny S. Sorin , Denis V. Korchagin , Lavrenty G. Gutsev , Gennadii V. Shilov , Vladimir A. Zhinzhilo , Igor E. Uflyand , Alexander V. Akkuratov , Gulzhian I. Dzhardimalieva

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Abstract

In this work, the structure of a bifunctional metal-containing monomer of zinc acrylate (Acr) and 4′-phenyl-2,2′:6′,2″-terpyridine (PhTpy), which is used in the synthesis of self-healing polymers, is characterized for the first time. The planar structure and electron distribution in the terpyridine moieties are responsible for an extensive network of non-covalent interactions that occur during the packing of the structure, as well as for the luminescent properties. The complex was characterized using a number of physicochemical methods, such as elemental, thermogravimetric, single-crystal X-ray analysis, X-ray diffraction analysis, IR and DSC spectroscopy. The kinetic approaches were used to elucidate the thermal transformations of the obtained monomer. In addition, the activation energy of solid-state polymerization, which is attributed to the primary cleavage of the M–O bond in the carboxyl group, was estimated using two independent methods.

The complex is formulated as a co-crystalizate Zn(Acr)₂PhTpy × ZnAcrClPhTpy with a solvated water molecule. Each zinc ion is coordinated by three nitrogen atoms of the PhTpy and either two oxygen atoms of the acrylate anions or one oxygen atom of the acrylate and chloride anions and has a distorted trigonal-bipyramidal coordination environment characteristic for PhTpy transition metal complexes.

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丙烯酸锌（II）与4′-苯基-2,2′：6′，2″-三吡啶配合物的晶体结构、热发光性能

在这项工作中，首次表征了用于合成自修复聚合物的双功能含金属单体丙烯酸锌（Acr）和4 ' -苯基-2,2 ':6 '，2″-三吡啶（PhTpy）的结构。三吡啶部分的平面结构和电子分布是在结构填充期间发生的广泛的非共价相互作用网络以及发光特性的原因。采用元素分析、热重分析、单晶x射线分析、x射线衍射分析、红外光谱和DSC光谱等多种物理化学方法对配合物进行了表征。用动力学方法分析了所得单体的热转化过程。此外，用两种独立的方法估计了固态聚合的活化能，该活化能归因于羧基上M-O键的初级裂解。该配合物与溶剂化的水分子共结晶Zn(Acr)2PhTpy × ZnAcrClPhTpy。每个锌离子由PhTpy的三个氮原子和丙烯酸盐阴离子的两个氧原子或丙烯酸盐阴离子和氯离子的一个氧原子配位，具有PhTpy过渡金属配合物特有的扭曲三角-双锥体配位环境。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

期刊介绍： Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.