[Co(4,4′-dimethylenebiphenyldiphosphonic acid(-2H))(2,2'-bipyridine)](n) | 1414814-31-5

• 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: [Co(4,4′-dimethylenebiphenyldiphosphonic acid(-2H))(2,2'-bipyridine)](n)
• 英文别名: [Co(4,4′-dimethylenebiphenyldiphosphonic acid(-2H))(2,2'-bipy)](n)
• CAS: 1414814-31-5
• 化学式: C₁₀H₈N₂*C₁₄H₁₄O₆P₂*Co
• 分子量: 555.389
• InChiKey: OGPCHDLWHSEGEA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.59
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  146.5
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  [Co(4,4′-dimethylenebiphenyldiphosphonic acid(-2H))(2,2'-bipyridine)](n) 以 neat (no solvent) 为溶剂， 生成 cobalt(II) metaphosphate
  参考文献：
  名称：

  Influence of biphenyl spacer appended to the flexible phosphonate arms in modulating the dimensionality of the coordination polymers: Synthesis, structural chemistry and magnetic properties

  摘要：

  Two new compounds (Co (2,2'-bipy)(H(2)dbP)](n) (1) and (2,2'-bipy)(2)(H(2)dbp)(H2O)]center dot H2O (2) based on the flexible ligand 4,4'-dimethylenebiphenyldiphosphonic acid (H(4)dbp) with 2,2'-bipyridine as secondary ligand have been synthesized under hydrothermal conditions. Both the compounds are well characterized by routine elemental analysis, IR, electronic spectroscopies, thermogravimetric analysis and finally by single crystal X-ray diffraction analysis. Compound 1 is a 1D extended coordination polymer and 2 is a discrete molecular compound. A comparative study between the geometries of H(4)dbp ligand (in compounds 1 and 2, present study) and p-xylylenediphosphonic acid (H(4)pxp) ligand (in previously reported compounds [Cu(2,2'-bipy)H(2)pxp)]center dot nH(2)O (1A) and Ni(2,2'-bipy)(2)H(4)pxp](n)H(2)pxp](n) (2A), see text) demonstrate the effect of the twisting in the benzene rings in changing higher dimensional H(x)dbp (x refers to number of protonated hydroxyl groups) compounds to lower dimensional Hxdbp compounds. The eight membered Co-dimer rings formed in compound 1 represents the simple and isolated Co-dimer, exhibiting weak antiferromagnetic exchange between metal centers through OPO bridges. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2012.08.044
• 作为产物：
  描述：

  2,2'-联吡啶 、 硫酸钴水合物 以 水 为溶剂， 反应 72.0h， 以62%的产率得到[Co(4,4′-dimethylenebiphenyldiphosphonic acid(-2H))(2,2'-bipyridine)](n)
  参考文献：
  名称：

  Influence of biphenyl spacer appended to the flexible phosphonate arms in modulating the dimensionality of the coordination polymers: Synthesis, structural chemistry and magnetic properties

  摘要：

  Two new compounds (Co (2,2'-bipy)(H(2)dbP)](n) (1) and (2,2'-bipy)(2)(H(2)dbp)(H2O)]center dot H2O (2) based on the flexible ligand 4,4'-dimethylenebiphenyldiphosphonic acid (H(4)dbp) with 2,2'-bipyridine as secondary ligand have been synthesized under hydrothermal conditions. Both the compounds are well characterized by routine elemental analysis, IR, electronic spectroscopies, thermogravimetric analysis and finally by single crystal X-ray diffraction analysis. Compound 1 is a 1D extended coordination polymer and 2 is a discrete molecular compound. A comparative study between the geometries of H(4)dbp ligand (in compounds 1 and 2, present study) and p-xylylenediphosphonic acid (H(4)pxp) ligand (in previously reported compounds [Cu(2,2'-bipy)H(2)pxp)]center dot nH(2)O (1A) and Ni(2,2'-bipy)(2)H(4)pxp](n)H(2)pxp](n) (2A), see text) demonstrate the effect of the twisting in the benzene rings in changing higher dimensional H(x)dbp (x refers to number of protonated hydroxyl groups) compounds to lower dimensional Hxdbp compounds. The eight membered Co-dimer rings formed in compound 1 represents the simple and isolated Co-dimer, exhibiting weak antiferromagnetic exchange between metal centers through OPO bridges. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2012.08.044