Matiadis Dimitrios, Tsironis Dimitrios, Stefanou Valentina, Igglessi-Markopoulou Olga, McKee Vickie, Sanakis Yiannis, Lazarou Katerina N, Chrissanthopoulos Athanassios, Yannopoulos Spyros N, Markopoulos John M
National Technical University of Athens, School of Chemical Engineering, Laboratory of Organic Chemistry, 15773 Athens, Greece.
School of Chemical Sciences, Dublin City University, Glasnevin, Dublin 9, Ireland.
Bioinorg Chem Appl. 2017;2017:7895023. doi: 10.1155/2017/7895023. Epub 2017 Feb 19.
In this work we present a structural and spectroscopic analysis of a copper(II) N-acetyl-5-arylidene tetramic acid by using both experimental and computational techniques. The crystal structure of the Cu(II) complex was determined by single crystal X-ray diffraction and shows that the copper ion lies on a centre of symmetry, with each ligand ion coordinated to two copper ions, forming a 2D sheet. Moreover, the EPR spectroscopic properties of the Cu(II) tetramic acid complex were also explored and discussed. Finally, a computational approach was performed in order to obtain a detailed and precise insight of product structures and properties. It is hoped that this study can enrich the field of functional supramolecular systems, giving place to the formation of coordination-driven self-assembly architectures.
在这项工作中，我们通过实验和计算技术对一种铜（II）N-乙酰基-5-亚芳基四嗪酸进行了结构和光谱分析。通过单晶X射线衍射确定了铜（II）配合物的晶体结构，结果表明铜离子位于对称中心，每个配体离子与两个铜离子配位，形成二维片层。此外，还对铜（II）四嗪酸配合物的电子顺磁共振光谱性质进行了探索和讨论。最后，采用计算方法以详细精确地了解产物的结构和性质。希望这项研究能够丰富功能性超分子体系领域，促进配位驱动的自组装结构的形成。
