[Mn(acetate)(2,2':6',2''-terpyridine)(μ1,5-dicyanamido)]n | 500314-56-7

• 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: [Mn(acetate)(2,2':6',2''-terpyridine)(μ1,5-dicyanamido)]n
• CAS: 500314-56-7
• 化学式: C₂H₃O₂*C₂N₃*C₁₅H₁₁N₃*Mn
• 分子量: 413.297
• InChiKey: RJTXDYIHMHPKBW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.28
• 重原子数：
  28.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  140.48
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  α,α,α-三联吡啶 、 manganese (II) acetate tetrahydrate 、 sodium dicyanamide 以 甲醇 、 水 为溶剂， 生成 [Mn(acetate)(2,2':6',2''-terpyridine)(μ1,5-dicyanamido)]n
  参考文献：
  名称：

  Syntheses, structures and magnetic properties of the dicyanamide (dca) polynuclear compounds [Mn(ac)(terpy)(μ1,5-dca)]n, [Mn(pdz)2(μ1,5-dca)2]n and [{Mn(dca)(terpy)(MeOH)}2(μ-terephthalate)]

  摘要：

  Dicyanamide, (dca, N(CN)(2)(-)) is found to form, as bridging ligand, two compounds of formula [Mn(ac)(terpy)( mu(1,5)-dca)](n) (1) and [Mn(pdz)(2)(mu(1,5)-dca)(2)](n) (2) (ac = acetate; terpy = 2,2':6',2"-terpyridine; pdz = pyridazine). The X-ray diffraction analysis reveals one-dimensional systems, with single dca bridges the compound 1 and double dca bridges the compound 2. The manganese atom in 1 is heptacoordinated, with a MnN5O2 pentagonal bipyramid environment, whereas in 2 the manganese atom is hexacoordinated. The susceptibility measurements of 1 and 2 indicate slight antiferromagnetic coupling. In an attempt to obtain a double chain with terephthalate and dicyanamide bridges, the dinuclear terephthalate bridged compound [{Mn(dca)(terpy)(MeOH)}(2)( mu-terephthalate)] (3) was obtained. The manganese atom in 3 is heptacoordinated, with a MnN4O3 pentagonal bipyramid environment. The susceptibility measurements of 3 indicate also slight antiferromagnetic coupling. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01076-9