chlorotris(triethylphosphane)cobalt(I) | 79639-62-6

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: chlorotris(triethylphosphane)cobalt(I)
• CAS: 79639-62-6
• 化学式: C₁₈H₄₅ClCoP₃
• 分子量: 448.923
• InChiKey: RPHHPTBDUUHMET-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.27
• 重原子数：
  23.0
• 可旋转键数：
  12.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  chlorotris(triethylphosphane)cobalt(I) 、 1,2-Ethanedithiol, disodium salt 在 air 作用下， 以 1,2-二氯乙烷 为溶剂， 以45%的产率得到[Co3(ethane-1,2-dithiolate)2(PEt3)3][Co2Cl4(μ-diethyl sulfone)2]
  参考文献：
  名称：

  Synthesis and molecular structure of the mixed polymeric cobalt compound [Co₃(SCH₂CH₂S)₃(PEt₃)₃]₂[Co₂Cl₄(µ-O₂SEt₂)₂]

  摘要：

  The mixed polymeric cobalt compound [Co-3(SCH2CH2S)(3)(PEt(3))(3)](2)[Co2Cl4(mu-O(2)SEt(2))(2)] 1 containing two trimers and one dimer was isolated from the reaction of [CoCl(PEt(3))(3)] with disodium ethane-1,2-dithiolate in 1,2-dichloroethane. It is monoclinic and crystallizes in space group P2(1)/n, with a = 12.481(7), b = 15.70(2), c = 25.84(2) Angstrom, beta = 97.85(5)degrees and Z = 2 from 2436 reflections with I > 3.50 sigma(l), final R = 0.062. X-Ray diffraction established that the two cobalt atoms in the dimer are linked via the oxygen atoms of the diethyl sulfone forming the eight-membered Co2O4S2 ring with a crystallographic inversion centre through the whole dimer. The observed cleavage of the dithiolate C-S bond together with the formation of the bridging diethyl sulfone are discussed. in the trimer of 1, the Co-3 isosceles triangle is capped by two bidentate SCH2CH2S2- ligands on either side of the plane with the sulfur atoms bridging the two long Co-Co bonds, while the short Co-Co bond is bridged by the third SCH2CH2S2- ligand. Considering the framework of the Co3P3(SCH2CH2S)(3) unit only, there is a pseudo mirror-image plane passing through the Co3P3 plane which bisects the C(31)-C(32) bond. The H-1 NMR spectrum of compound 1 demonstrates the retention of the solid-state structure of the trinuclear species in chloroform solution.

  DOI：

  10.1039/dt9950001447
• 作为产物：
  描述：

  cobalt(II) chloride 、 三乙基膦 在 Na 、 Hg 作用下， 以 四氢呋喃 为溶剂， 以86%的产率得到chlorotris(triethylphosphane)cobalt(I)
  参考文献：
  名称：

  Werner, Helmut; Hofmann, Werner, Chemische Berichte, 1981, vol. 114, # 8, p. 2681 - 2699

  摘要：

  DOI：