cis-bis(2,2'-biryridine)carbonatocobalt(III) nitrate | 16590-97-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: cis-bis(2,2'-biryridine)carbonatocobalt(III) nitrate
• 英文别名: cobalt(3+);2-pyridin-2-ylpyridine;carbonate;nitrate
• CAS: 16590-97-9
• 化学式: C₂₁H₁₆CoN₄O₃*NO₃
• 分子量: 493.381
• InChiKey: HSNVHILKYGNWKS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  33
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  178
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 cis-bis(2,2'-biryridine)carbonatocobalt(III) nitrate 以 水 为溶剂， 生成 cis-bis(2,2'-biryridine)carbonatocobalt(III) hexafluorophosphate
  参考文献：
  名称：

  Structure and spectroscopic studies of cis-bis(bipyridine) cobalt(III) complexes of phenylcyanamide ligands

  摘要：

  Several new cobalt complexes. cis-[(bpy)(2)Co(L)(2)]PF6, where bpy = 2.2'-bipyridine and L = monoanion of phenylcyanan-tide (pcyd), 2-chlorophenylcyanamide(2-Clpcvd), 2,5-dichlorophenylcyanamide(2,5-Cl(2)pcyd). 2-methylphenylcyanamide(2-Mepcyd) and 2,4-dimethylphenylcyanamide(2,4-Me(2)pcyd) have been prepared and characterized by UV-Vis, IR and H-1 NMR spectroscopies. The complex of cis-[(bpy)(2)Co(2-Clpcvd)(2)]PF6, crystallized with one third of a molecule of acetonitrile with empirical formula of C34.67H25N8.33F6Cl2PCo, in a triclinic crystal system and space group of P (1) over bar with a = 10.937(1) Angstrom, b = 12.716(1) Angstrom, c 13.452(1) Angstrom, 91.019(4)degrees, V = 1789.3(3) Angstrom(3), and Z = 2. The structure was refined by using 5385 Mo Koc reflections with I > 3a(I) and R factor of 0.065. These Co-complexes possess low-energy ligand to metal charge-transfer bands associate with Co(III)-NCN chromophore. Comparison between the properties of cis-[Ru(bpy)(2)(L)(2)]PF6 and cis-[Co(bpy)(2) (L)(2)]PF6 complexes shows the same behavior in the covalency of the M-NCN pi-bond. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00837-x