[Ni(2,5-pyridinedicarboxylate)₂(piperazine+H)₂]·H₂O | 1431320-84-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: [Ni(2,5-pyridinedicarboxylate)₂(piperazine+H)₂]·H₂O
• 英文别名: [Ni(pdc)₂(Hppz)₂]·H₂O；Nickel(2+);piperazin-1-ium;pyridine-2,5-dicarboxylate;hydrate
• CAS: 1431320-84-1
• 化学式: C₂₂H₂₈N₆NiO₈*H₂O
• 分子量: 581.205
• InChiKey: PFYHSALBNFIHTI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -8.9
• 重原子数：
  38
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  245
• 氢给体数：
  5
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  2,5-二吡啶羧酸 、 nickel(II) chloride hexahydrate 、 水 在 硝酸 、 sodium hydroxide 作用下， 反应 120.0h， 以42%的产率得到[Ni(2,5-pyridinedicarboxylate)₂(piperazine+H)₂]·H₂O
  参考文献：
  名称：

  Synthesis, structure and surface photo-electric property of Ni(II) complexes

  摘要：

  Three Ni(II) coordination complexes [NaNi(NTA)(H2O)](n) (1), [Ni(pdc)(2)(Hppz)(2)]center dot H2O (2), [Ni(HL)(2)] (3) (H(3)NTA = nitrilotriacetic acid; ppz = piperazine; H(2)pdc = 2,5-pyridinedicarboxylic acid; H2L = 2-(1-piperazinl)-succinic acid) were obtained by hydrothermal synthesis method. The structures of the three complexes were determined by single crystal X-ray diffraction. Complex (1) is a 3D coordination polymer bridged by NTA(3-) groups; complex (2) is a mononuclear complex with ligands of pdc(2-) and Hppz(+), forming a 3D supramolecule via hydrogen bonds; complex (3) is also a mononuclear complex with ligand of HL-, connected into a 3D supramolecule through hydrogen bonds. The photo-electric properties of complexes were investigated by surface photovoltage spectroscopy (SPS). The results of SPS show that the three complexes exhibit obvious photovoltage responses in the range of 300-800 nm, which indicates that they all possess certain photo-electric conversion properties. Comparing and analyzing the SPS results of three complexes, it can be found that the component, structure and dimensionality of complex, the category of ligand, the species and number of the direct coordination atoms as well as change of the coordination microenvironment of central metal Ni(II) ion all affect obviously the SPS responses. The SPS and UV-Vis spectra of the complexes were interrelated. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.034