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| 259089-12-8

中文名称
——
中文别名
——
英文名称
——
英文别名
——
化学式
CAS
259089-12-8
化学式
C34H32Cl2CoP2S2
mdl
——
分子量
696.607
InChiKey
AUQBVTCFVXIFTG-UHFFFAOYSA-L
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

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:
    参考文献:
    名称:
    Co(III) and Cr(III) complexes of diphosphadithia ligands and the crystal structure of [CoCl2(L3)]PF6·CH2Cl2 (L3=Ph2P(CH2)2S(o-C6H4)S(CH2)2PPh2)
    摘要:
    [CrX3(thf)(3)] (X = Cl or Br) reacts with L (L=L-1-L-3 or Ph-2[14]aneP(2)S(2)) (L-1=Ph2P(CH2)(2)S(CH2)(2)S(CH2)(2)PPh2, L-2= Ph2P(CH2)(2)S(CH2)(3)S(CH2)(2)PPh2, L-3=Ph2P(CH2)(2)S(o-C6H4)S(CH2)(2)PPh2, Ph-2[14]aneP(2)S(2)=4,8-diphenyl-1,11-dithia-4,8-diphosphacyclotetradecane) and TlPF6 in MeNO2 solution to yield the distorted octahedral complexes [CrX2(L)]PF6 as green coloured solids in high yield. UV/visible spectroscopy suggests that these are cis-dihalo species and they have also been characterised by IR spectroscopy, electrospray mass spectrometry and microanalyses. The Co(III) analogues [CoX2(L)](+) are readily prepared in a two-stage reaction, involving treatment of CoX2. 6H(2)O with L (L=L-1-L-3) and NH4PF6 in EtOH solution to give a green/brown solid, followed by halogen oxidation of this product in CH2Cl2 solution using X-2/CCl4, to give the final products as brown coloured solids. A mixture of PF6- and [CoX4](2-) anions are present in the final Co(III) compounds in varying ratios. Crystal structures of [CoCl2(L-2)](2)[CoCl4]. 4H(2)O and [CoCl2(L-3)]PF6. CH2Cl2 confirm tetradentate P2S2 coordination of L in each case, with mutually cis halogens completing the distorted octahedral geometry. In both cases the complex cation adopts the cis-ol form in the solid state and this is also consistent with the solution P-31{H-1} NMR spectroscopic data. Co-59 NMR spectroscopy reveals a very broad single resonance at approximate to 3200 ppm for these species. (C) 1999 Elsevier Science Ltd. All rights reserved.
    DOI:
    10.1016/s0277-5387(99)00285-5
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