(4,4'-bipyridinio-1-acetate+H)Br | 1243641-36-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (4,4'-bipyridinio-1-acetate+H)Br
• CAS: 1243641-36-2
• 化学式: Br*C₁₂H₁₁N₂O₂
• 分子量: 295.136
• InChiKey: XASKUVJENYBJHM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.88
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  54.07
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 (4,4'-bipyridinio-1-acetate+H)Br 、 sodium azide 以 水 为溶剂， 以45%的产率得到[Mn₆(4,4'-bipyridinio-1-acetate)4(N₃)12(H₂O)]*5H₂O
  参考文献：
  名称：

  Novel Three-Dimensional Metal-Azide Network Induced by a Bipyridine-Based Zwitterionic Monocarboxylate Ligand: Structures and Magnetism

  摘要：

  The 4,4'-bipyridine-based zwitterionic monocarboxylate ligand, 4,4'-dipyridinio-1 -acetate (L), is used as coligand to construct novel magnetic coordination polymers with mixed azide and carboxylate bridges. Two compounds, [Co-2(L)(2)(N-3)(4)(H2O)]center dot 4H(2)O (1) and [Mn-6(L)(4)(N-3)(12)(H2O)]center dot 5H(2)O (2), have been structurally and magnetically characterized. Compound 1 consists of one-dimensional (1D) coordination chains in which the unprecedented binuclear motifs with mixed (mu-EO-N-3)(mu-COO)(2) (EO = end-on) triple bridges are cross-linked by the 4,4'-dipyridinium-N-methylene spacers. In compound 2, the azide anions link the metal ions into a very complicated three-dimensional (3D) network with unprecedented topology, and the zwitterionic coligand is embedded in and serves as additional supports for the 3D network. Magnetic studies reveal that the mixed (mu-EO-N-3)(mu-COO)(2) triple bridges transmit ferromagnetic coupling in the Co(II) compound, and the overall antiferromagnetic interactions exist in the Mn(II) compound.

  DOI：

  10.1021/ic1011633

文献信息

• Two Zn-viologen coordination polymers constructed from 1-carboxyethyl-4,4′-bipyridinium ligands: Crystal structures, photochromism and theoretical calculations
  作者：Guo-zheng Zhao、Jin-jian Liu

  DOI：10.1016/j.poly.2021.115295

  日期：2021.9

  ion of compound 1 connects four CEbpy ligands and two p-BDC2− anions to form one dimensional (1D) coordination polymer chains on the upper and lower layers, respectively. Each Zn (II) ion of compound 2 connects four CEbpy ligands and two BTEC4− anions to form two dimensional (2D) coordination polymer chains. Compounds 1 and 2 both display superior photochromic performance. Density functional theory (DFT)-B3LYP/6–311

  制备了两种由 1-羧乙基-4,4'-联吡啶鎓 (CEbpy) 配体构成的 Zn-紫精配位聚合物 [Zn(CEbpy) 2 (H 2 O) 2 ]·[Zn( p -BDC)(H 2 O ) 4 ]·2Br} n ( 1 ) 和[Zn(CEbpy) 2 (H 2 O) 2 ]·[Zn(BTEC)(H 2 O) 3 ]·6H 2 O} n ( 2 ) ( p - H 2 BDC = 1,4-苯二甲酸，H 4BTEC = 1,2,4,5-苯四甲酸）。检查了化合物1和2的晶体结构和光致变色。化合物1 的每个 Zn (II) 离子连接四个 CEbpy 配体和两个p -BDC 2-阴离子，分别在上层和下层形成一维 (1D) 配位聚合物链。化合物2 的每个 Zn (II) 离子连接四个 CEbpy 配体和两个 BTEC 4-阴离子以形成二维 (2D) 配位聚合物链。化合物1和2两者都显示出优异的光致变色性能。密度泛函理论