chloro(pentane-2,4-dionato)(1,1,1-tris(dimethylphosphinomethyl)ethane)cobalt(III) | 436799-68-7

• 英文名称: chloro(pentane-2,4-dionato)(1,1,1-tris(dimethylphosphinomethyl)ethane)cobalt(III)
• 英文别名: [Co(III) (1,1,1-tris(dimethylphosphanylmethyl)ethane)(pentane-2,4-dionato)Cl]PF6
• CAS: 436799-68-7
• 化学式: C₁₆H₃₄ClCoO₂P₃*F₆P
• 分子量: 590.776
• InChiKey: YQNMMUBTPBYKNF-UHFFFAOYSA-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

• 作为反应物：
  描述：

  六氟磷酸银 、 chloro(pentane-2,4-dionato)(1,1,1-tris(dimethylphosphinomethyl)ethane)cobalt(III) 以 甲醇 、 乙腈 为溶剂， 以91%的产率得到[Co(III) (1,1,1-tris(dimethylphosphanylmethyl)ethane)(pentane-2,4-dionato)(acetonitrile)](PF6)2
  参考文献：
  名称：

  含有 3-或 4-吡啶基取代硝基和亚氨基氮氧化物配体的钴 (III) 配合物的合成、结构和光谱性质

  摘要：

  几种新的钴 (III) 配合物包含 4,4,5,5-四甲基-2-(3-或 4-吡啶基)咪唑啉-1-氧基 3-氧化物 (NITnpy) (n = 3 或 4) 或 4,4 ,5,5-四甲基-2-(3-或4-吡啶基)咪唑啉-1-氧基(IMnpy)已制备。X 射线晶体学分析和光谱研究表明，具有自由基特征的硝酰基或亚氨基氮氧化物通过吡啶基-N 原子与 CoIII 中心结合。自由基未成对电子对 CoIII 络合物部分和 CoIII 离子配位对这些自由基的性质有一些影响，可以通过 59 Co NMR 和 UV/Vis 光谱检测。这种观察到的变化与在吡啶基取代基的 N 原子上提出的自旋密度一致。此外，发现反式-[Co(acac)2(PPh3)(NIT4py)]+在甲醇中逐渐转化为相应的IM4py复合物，而游离的NIT4py在甲醇中是稳定的。NIT4py 复合物在甲醇中部分分解时形成的 CoII 物种似乎催化

  DOI：

  10.1002/1099-0682(200203)2002:4<886::aid-ejic886>3.0.co;2-z
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 (1,1,1-tris(dimethylphosphinomethyl)ethane)trichlorocobalt(III) 、 乙酰基丙酮锂 以 甲醇 为溶剂， 以87%的产率得到chloro(pentane-2,4-dionato)(1,1,1-tris(dimethylphosphinomethyl)ethane)cobalt(III)
  参考文献：
  名称：

  Preparation, crystal structures and spectroscopic properties of chloro(pentane-2,4-dionato){1,1,1-tris(dimethylphosphinomethyl)ethane}chromium(III), cobalt(III) and rhodium(III) hexafluorophosphate: comparison of the MP, MCl and MO (M=Cr, Co and Rh) bond lengths among the three MIII complexes

  摘要：

  Three metal(III)-tripodal tridentate phosphine complexes of the formula [MCl(acac)(tdmme)]PF6, where M = Cr, Co or Rh; acac = pentane-2,4-dionate; tdmme = 1,1,1-tris(dimethylphosphinomethyl)ethane, were prepared and their molecular and crystal structures and spectroscopic properties examined. All the complexes crystallized in an isomorphous space group P2(1)2(1)2(1), which is indicative of spontaneous resolution of the enantiomeric pair. The Cr-P bond lengths in [CrCl(acac)(tdmme)]PF6 (average 2.437 Angstrom) are remarkably longer than the corresponding Co-P (average 2.201 Angstrom) and Rh-P (average 2.252 Angstrom) ones. The longer and therefore the weaker Cr-P bonds may explain the relatively weak trans influence of the -PMe2 group in [CrCl(acac)(tdmme)]PF6; among the three Mill complexes, the elongation of M-O bond lengths in [MCl(acac)(tdmme)]PF6 from those in [M(acac)(3)] has been found to be Cr(III) (0.016 Angstrom) < Co-III (0.059 angstrom) < Rh-III (0.096 Angstrom), indicating a much weaker trans influence of the -PMe2 group in the Cr-III complex than in the Co-III and Rh-III, complexes. The first d-d transition band of [CrCl(acac)(tdmme)](+) was observed at 18590 cm(-1). This is appreciably smaller than the corresponding band of the Coin complex at 20960 cm(-1), suggesting the ligand-field strength of tdmme is fairly weak in the Cr-III complex. The ligand-field strength Delta and the Racah's B parameters of [CrCl(acac)(tdmme)](+) were also discussed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)00859-8