铜(II) β-氨基乙烯基酮配合物的晶体结构和Hirshfeld表面分析

IF 2.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Anastasia A. Shiryaeva, Valery G. Vlasenko, Ali I. Uraev, Oleg P. Demidov, Anatolii S. Burlov, Dmitrii A. Garnovskii
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引用次数: 0

摘要

本文报道了两种以1-苯基-3-(8-喹啉氨基)-2-烯-1-酮(HL)为基的铜(II)配合物的合成和研究结果。用元素分析和红外光谱对两种配合物进行了表征。采用单晶x射线衍射法测定了铜(II)配合物的晶体结构和分子结构。根据不同的合成方法(在甲醇溶液中加入或不加入甲醇钠),可以得到两种不同类型的晶体结构,其组成成分为CuL2和CuLCOOCH3。Hirschfeld表面分析方法被用于分析晶体中分子之间的相互作用,这使得可视化和量化这些化合物中的氢键、范德华力和π-π堆积相互作用成为可能。本研究表明,配合物的结构依赖于合成条件,影响铜(II)离子的配位环境和分子间相互作用的特性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crystal structure and Hirshfeld surface analysis of copper(II) β-aminovinyl ketone complexes

The results of the synthesis and investigation of two copper(II) complexes based on 1-phenyl-3-(8-quinolylamino)but-2-en-1-one (HL) are presented. Both complexes were characterized by elemental analysis and IR spectroscopy. The crystalline and molecular structure of copper(II) complexes was determined using single-crystal X-ray diffraction analysis. Depending on the synthesis method (with or without the addition of sodium methoxide in a methanol solution), two different types of crystal structures with compositions CuL2 and CuLCOOCH3 were obtained. The Hirschfeld surface analysis method was used to analyze interactions between molecules in crystals, which made it possible to visualize and quantify hydrogen bonds, van der Waals forces, and π-π stacking interactions in these compounds. This study demonstrated that the structure of the complex is dependent on the synthesis conditions that affect the coordination environment of copper(II) ions and the characteristics of intermolecular interaction.

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来源期刊
Structural Chemistry
Structural Chemistry 化学-化学综合
CiteScore
3.80
自引率
11.80%
发文量
227
审稿时长
3.7 months
期刊介绍: Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry. We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.
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