NC5H4-3-CCo3(CO)9 | 217096-53-2

• 英文名称: NC5H4-3-CCo3(CO)9
• CAS: 217096-53-2
• 化学式: C₁₅H₄Co₃NO₉
• 分子量: 519.178
• InChiKey: ILUGHKDJAMPVEV-UHFFFAOYSA-N

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：

  bis(benzonitrile)palladium(II) chloride 、 NC5H4-3-CCo3(CO)9 以 甲苯 为溶剂， 以82%的产率得到trans-PdCl2(NC5H4-3-CCo3(CO)9)2
  参考文献：
  名称：

  The syntheses of pyridine-functionalyzed methylidynetricobalt nona-carbonyl clusters, their X-ray analyses, and its coordination to Pd(II)

  摘要：

  Two kinds of methylidynetricobalt nonacarbonyls with a pyridine functional group as an apical substituent have been synthesized from trichloromethylpyridine derivatives. The structures of two new clusters have been determined by single crystal X-ray analysis. EH-MO calculations have shown that the atomic charge on the N atom in NC5H4-3-CCo3(CO)(9) is close to that of beta-picoline. This cluster can coordinate to Pd(II) and trans-PdCl2{NC5H4-3-CCo3(CO)(9)}(2) with a nanometer dimension has been synthesized as a precursor of molecular dot. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00823-7
• 作为产物：
  描述：

  dicobalt octacarbonyl 、 3-三氯甲基吡啶盐酸盐 、 2-氯-5-三氯甲基吡啶 以 四氢呋喃 为溶剂， 以30%的产率得到NC5H4-3-CCo3(CO)9
  参考文献：
  名称：

  The syntheses of pyridine-functionalyzed methylidynetricobalt nona-carbonyl clusters, their X-ray analyses, and its coordination to Pd(II)

  摘要：

  Two kinds of methylidynetricobalt nonacarbonyls with a pyridine functional group as an apical substituent have been synthesized from trichloromethylpyridine derivatives. The structures of two new clusters have been determined by single crystal X-ray analysis. EH-MO calculations have shown that the atomic charge on the N atom in NC5H4-3-CCo3(CO)(9) is close to that of beta-picoline. This cluster can coordinate to Pd(II) and trans-PdCl2{NC5H4-3-CCo3(CO)(9)}(2) with a nanometer dimension has been synthesized as a precursor of molecular dot. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00823-7