Ni2(dpa)2(pyz)(H2O)4 | 777094-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Ni2(dpa)2(pyz)(H2O)4
• 英文别名: Ni2(2,6-pyridinedicarboxylate)2(pyrazine)(H2O)4；nickel(2+);pyrazine;pyridine-2,6-dicarboxylate;tetrahydrate
• CAS: 777094-63-0
• 化学式: C₁₈H₁₈N₄Ni₂O₁₂
• 分子量: 599.741
• InChiKey: GDCPXDGELFKYHI-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -7.21
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  216
• 氢给体数：
  4
• 氢受体数：
  16

反应信息

• 作为产物：
  描述：

  吡嗪 、 镍,[碳酸(2-)-κO]- 、 吡啶-2,6-二甲酸 、 水 以 水 为溶剂， 生成 Ni2(dpa)2(pyz)(H2O)4
  参考文献：
  名称：

  Preparation, crystal structure and magnetic properties of Ni2(dpa)2(pyz)(H2O)4

  摘要：

  A Ni(II)-based dimer structure, Ni-2(dpa)(2)(pyz)(H2O)(4) (dpa = 2,6-pyridine dicarboxylic acid dianion, pyz: pyrazine), has been prepared using hydrothermal synthesis and the solid-state magnetic properties have been evaluated. In the dimeric structure, the planar tridentate 2,6-pyridine dicarboxylic acid dianion coordinates to a Ni(II) ion in a meridional fashion and defines the equatorial plane of the complex. The fourth equatorial coordination site is then occupied by a pyrazine molecule that functions as a linear bidentate ligand bridging two Ni(II) complexes to form a dimer. The axial positions of each Ni(11) complex are occupied by two water molecules to form a distorted octahedral geometry. Susceptibility and magnetization measurements show that both intra-dimer and inter-dimer exchange interactions are weakly antiferromagnetic. The fitting of the magnetic data also indicates the existence of a large axial zero-field splitting term that contributes to the small magnetization even under high fields. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.03.002