| 1298576-94-9

• CAS: 1298576-94-9
• 化学式: C₂₁H₁₅ClN₄Ni
• 分子量: 417.52
• InChiKey: QJBYWKBEWVJUGH-BIROQUNWSA-M

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

• 作为产物：
  描述：

  、 四丁基氯化铵 以 甲醇 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Metal ion size and coordination mode in complexes of a β-diketiminate ligand with pendant quinoline arms

  摘要：

  A suite of late first row transition metal complexes has been synthesized using a monoanionic nitrogen donor beta-diketiminate ligand with quinolyl pendant arms, BDI(QQ)H (1). BDI(QQ)NiOTf (2), BDI(QQ)CuCl (4), BDI(QQ)ZnCl (5) were prepared from the reaction of 1 with Ni(OTf)(2), CuCl(2)center dot 2H(2)O and ZnCl(2), respectively. BDI(QQ)NiCl (3) was synthesized from an anion exchange of 2 with (n)Bu(4)NCl. Reaction of 1 and CoI(2) afforded the unexpected [(BDI(QQ))(2)Co](+)I (6). Through density functional theory (DFT) calculations, ligand geometries in BDIQQ complexes were investigated and it was found that smaller ionic radius and higher charge destabilize 1:1 metal-ligand complexes relative to alternative 1:2 complexes like 6 owing to significant conformational strain in 1:1 complexes involving metals with small ionic radii. Synthesis and characterization of these complexes, including crystal structures of 4 and 5, are reported, in addition to the results of DFT calculations. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.12.021