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包含琥珀酸盐和四甲基乙二胺配体的一维铜(II)配位聚合物的晶体结构和 Hirshfeld 表面分析

Crystal structure and Hirshfeld surface analysis of one-dimensional copper(II) coordination polymer incorporating succinate and tetra-methyl-ethylene-diamine ligands.

作者信息

Qadir Adnan M, Kansiz Sevgi, Dege Necmi, Rosair Georgina M, Iskenderov Turganbay S

机构信息

Department of Chemistry, College of Science, Salahaddin University, Erbil, 44001, Iraq.

Department of Fundamental Sciences, Faculty of Engineering, Samsun University, Samsun, 55420, Turkey.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Jun 9;76(Pt 7):1038-1041. doi: 10.1107/S2056989020007227. eCollection 2020 Jul 1.

DOI:10.1107/S2056989020007227
PMID:32695448
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7336774/
Abstract

The reaction of copper nitrate with succinic acid (succH) and ,,','-tetra-methyl-ethylenedi-amine (TMEDA) in basic solution produces the complex -poly[[[(,,','-tetra-methyl-ethylenedi-amine-κ ,')copper(II)]-μ-succinato-κ : ] tetra-hydrate], {[Cu(CHO)(CHN)]·4HO} or {[Cu(succ)(tmeda)]·4HO} . Each carboxyl-ate group of the succinate ligand coordinates to a Cu atom in a monodentate fashion, giving rise to a distorted square-planar geometry. The succinate ligands bridge the Cu centres, forming one-dimensional polymeric chains. Hydrogen bonds between the ligands and water mol-ecules link these chains into sheets that lie parallel to the plane. Hirshfeld surface analysis, and two-dimensional fingerprint plots were examined to verify the contributions of the different inter-molecular contacts within the supra-molecular structure.

摘要

硝酸铜与琥珀酸(succH)和N,N,N',N'-四甲基乙二胺(TMEDA)在碱性溶液中反应生成配合物聚[[[(N,N,N',N'-四甲基乙二胺-κN)铜(II)]-μ-琥珀酸根-κO1:O2]四水合物],{[Cu(C4H4O4)(C6H16N2)]·4H2O} 或 {[Cu(succ)(tmeda)]·4H2O} 。琥珀酸配体的每个羧酸根基团以单齿方式与一个铜原子配位,形成扭曲的平面正方形几何构型。琥珀酸配体桥连铜中心,形成一维聚合物链。配体与水分子之间的氢键将这些链连接成平行于ab平面的片层。通过Hirshfeld表面分析和二维指纹图谱来验证超分子结构中不同分子间相互作用的贡献。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/311c0f0992fa/e-76-01038-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/fb2be16e60db/e-76-01038-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/e7735fbbb0d6/e-76-01038-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/f2a83afefb23/e-76-01038-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/61b520bfb6d4/e-76-01038-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/311c0f0992fa/e-76-01038-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/fb2be16e60db/e-76-01038-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/e7735fbbb0d6/e-76-01038-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/f2a83afefb23/e-76-01038-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/61b520bfb6d4/e-76-01038-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/124d/7336774/311c0f0992fa/e-76-01038-fig5.jpg

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