[Co(1,1,1-tris(diphenylphosphinomethyl)ethane)(o-benzenedithiolate)]PF6 | 161991-44-2

• 英文名称: [Co(1,1,1-tris(diphenylphosphinomethyl)ethane)(o-benzenedithiolate)]PF6
• CAS: 161991-44-2
• 化学式: C₄₇H₄₃CoP₃S₂*F₆P
• 分子量: 968.869
• InChiKey: DXUVPYCEVSJYIQ-UHFFFAOYSA-L

计算性质

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

• 作为产物：
  描述：

  ferrocenium hexafluorophosphate 、 [Co(1,1,1-tris(diphenylphosphinomethyl)ethane)(o-benzenedithiolate)] * CH2Cl2 以 二氯甲烷 为溶剂， 以95%的产率得到[Co(1,1,1-tris(diphenylphosphinomethyl)ethane)(o-benzenedithiolate)]PF6
  参考文献：
  名称：

  Synthesis, crystal structure, electrochemistry and electronic paramagnetic resonance spectroscopy of [M{(PPh2CH2)3CMe}(o-S2C6H4)][PF6] n (M = Fe, Co or Rh; n= 0 or 1)

  摘要：

  Monomeric thiolate complexes of formula [M{(PPh2CH2)3CMe}(o-S2C6H4)][PF6]n (M = Fe(II), Fe(III), Co(II), Co(III), Rh(II) or Rh(III); n = 0 or 1) have been synthesized. The molecular structure of all these compounds has been established by single-crystal X-ray diffraction studies. All the complexes display a square-pyramidal geometry with differing degrees of distortion depending on the oxidation state and electronic configuration of the metal. Electrochemistry served to localize the formal electrode potentials of the different M(II)-M(III) couples. In dichloromethane solution, the iron(III) complex (E-degree = +0.04 V vs. saturated calomel electrode) is easier to reduce than the cobalt(III) complex (E-degree = -0.39 V), which in turn is easier to reduce than the rhodium(III) complex (E-degree = -0.69 V). In the case of the iron species, the possibility of obtaining the somewhat stable Fe(I) congener has been realized. The paramagnetic Fe(I) and Fe(III), Co(II) and Rh(II) derivatives have been studied by EPR spectroscopy under different experimental conditions, confirming that the unpaired electron is mainly localized on the metal centre. For cobalt and rhodium derivatives EPR results indicate the presence in solution of a chemical equilibrium between two different isomers.

  DOI：

  10.1039/dt9950000531