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Syntheses, structures and hirshfeld surface analyses of two 3D supramolecules based on nitrogen-heterocyclic tricarboxylate ligand

机译:基于氮 - 杂环三羧酸甲酸盐配体的两种3D超分子的合成,结构和HIRSHFELD表面分析

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摘要

A Co(II) complex, Co(H(2)dppc)(2)(H2O)(2) (1) and a Cu(II) compex, Cu(H(2)dppc)(2) (2) (H(3)dppc = 3-(2,4-dicarboxylate phenyl)-2-pyridinecarboxylic acid) have been synthesized and characterized by IR, elemental analysis, single-crystal X-ray diffraction and Hirshfeld analysis methods. The magnetic properties of the two complexes are also studied. For complex 1, the Co(II) ion is coordinated by two water molecules and two deprotonated H(3)dppc ligands in N-O chelate mode to form a mononuclear complex; for complex 2, the Cu(II) ion is coordinated by two deprotonated H(3)dppc ligands in mu(2)-eta(2) :eta(1) mode to form a mononuclear complex; the two complexes are both connected into 3D supramolecules by intermolecular O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds. Hirshfeld surface analysis and 2D fingerprint plots are used to calculate the contribution of different intermolecular interactions. This work could provide a new strategy for the rational design and synthesis of supramolecules. (C) 2019 Elsevier B.V. All rights reserved.
机译:将Co(II)络合物,钴(H(2)DPPC)(2)(H 2 O)(2)(1)和Cu(II)配,铜(H(2)DPPC)(2)(2)( H(3)= DPPC 3-(2,4-二羧酸二苯基)-2-吡啶羧酸)已被合成并用IR,元素分析,单晶X射线衍射和Hirshfeld分析方法。这两个配合物的磁学性质进行了研究。对于复杂的1,将Co(II)离子是由两个水分子配位和两个去质子H(3)的N-O螯合模式DPPC配体形成复合物的单核; ETA(1)模式,以形成复合物的单核;:对于配合物2中,Cu(II)离子是由两个去质子H(3)配体DPPC在亩(2)-ETA(2)配位两种复合物都通过分子间O - H中心点中心的点中心的点O和C-H中心点中心的点中心的点O氢键键连接成3D超分子。 Hirshfeld表面分析和2D指纹曲线用于计算不同的分子间相互作用的贡献。这项工作可以为超分子的合理设计和合成的新战略。 (c)2019 Elsevier B.v.保留所有权利。

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