[Ni(1,4-benzenedicarboxylate)(1,10-phenanthroline)(H2O)] | 757190-85-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Ni(1,4-benzenedicarboxylate)(1,10-phenanthroline)(H2O)]
• CAS: 757190-85-5
• 化学式: C₂₀H₁₄N₂NiO₅
• 分子量: 421.032
• InChiKey: OELACYXXNCQKFT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Ni(1,4-benzenedicarboxylate)(1,10-phenanthroline)(H2O)] 以 neat (no solvent) 为溶剂， 生成 nickel(II) oxide
  参考文献：
  名称：

  A Chain of Changes:  Influence of Noncovalent Interactions on the One-Dimensional Structures of Nickel(II) Dicarboxylate Coordination Polymers with Chelating Aromatic Amine Ligands

  摘要：

  Five one-dimensional coordination polymers, Ni(BDC)(1,10-phen) (1), Ni(BDC)(2,2'-bipy).0.75H(2)BDC (2), Ni(BDC)(1,10-phen)(H2O) (3), Ni(BDC)(1,10-phen)(H2O).0.5H(2)BDC (4) and Ni(BDC)(2,2'-bipy)(H20) (5) [where BDC = 1,4-benzenedicarboxylate, 2,2-bipy = 2,2'-bipyridine, and 1,10-phen = 1,10-phenanthroline] that have the same topology but markedly different geometry and packing of the chains have been synthesized by hydrothermal reactions. The results of variations of synthesis conditions and substitutions of 1, 10-phenanthroline with 2,2'-bipyridine indicate that incorporation of the coordinating water molecule, which affects the degree of bending of the chain, is primarily influenced by the amine ligand size, suggesting a substantial structural role of aromatic-aromatic interactions and amine ligand steric effects. The incorporation of the guest H2BDC molecules was found to be favored by lower pH conditions. Crystal data: 1, monoclinic, space group P2(1)/n, a = 9.5589(6) Angstrom, b = 12.6776(8) Angstrom, c = 13.5121(9) Angstrom,beta = 95.437(1)degrees, Z = 4; 2, monoclinic, space group P2(1)/c, a = 20.532(3) Angstrom, b = 21.505(3) Angstrom, c = 18.872(3) Angstrom, beta = 93.86(1)degrees, Z = 16; 3, triclinic, space group P1, a = 8.618(3) Angstrom, b = 10.058(4) Angstrom, c = 11.353(4) Angstrom, alpha = 115.31 (1)degrees, beta = 92.33(1)degrees, gamma= 94.03(1)degrees, Z = 2; 4, triclinic, space group P1, a = 9.7682(12) Angstrom, b = 10.6490(13) Angstrom, c = 11.2468(14)Angstrom, alpha 76.685(2)degrees, beta = 65.309(2)', gamma = 85.612(2)', Z = 2; 5, monoclinic, space group P2(1)/c, a = 13.9683(9) Angstrom, b = 17.4489(11) Angstrom, c = 13.7737(9) Angstrom, beta = 99.12(1)degrees, Z = 8.

  DOI：

  10.1021/ic049341u
• 作为产物：
  描述：

  [Ni(tpht)(phen)(H2O)2]*2H2O 以 neat (no solvent) 为溶剂， 生成 [Ni(1,4-benzenedicarboxylate)(1,10-phenanthroline)(H2O)]
  参考文献：
  名称：

  含有对苯二甲酸酯配体的混合配体 Co(II)、Ni(II) 和 Cu(II) 配合物的热行为

  摘要：

  摘要 通过热重和差示扫描量热技术研究了一系列与对苯二甲酸根离子和一些芳族二胺的三元 Co(II)、Ni(II) 和 Cu(II) 配合物的热行为。复合物的脱水过程非常相似——它们中的大多数都在一个步骤中失水。脱水产品的热稳定性按 Co 的顺序增加

  DOI：

  10.1016/j.tca.2003.10.015