CpCo(1,3-dithiol-2-one-4,5-dithiolate) | 137229-36-8

• 英文名称: CpCo(1,3-dithiol-2-one-4,5-dithiolate)
• CAS: 137229-36-8
• 化学式: C₈H₅CoOS₄
• 分子量: 304.384
• InChiKey: PDVLPAQJIJQGIG-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：

  carbon monoxide,cobalt,cyclopenta-1,3-diene 、 2-thioxo-5H-1,3-dithiolo[4,5-b][1,4]dithiepin-6(7H)-one 以 N,N-二甲基甲酰胺 为溶剂， 以42%的产率得到CpCo(5H-1,4-dithiepin-6(7H)-one-2,3-dithiolate)
  参考文献：
  名称：

  Sulfur-rich CpCo(dithiolene) complexes: Isostructural or non-isostructural couples of CpCo(III) with CpNi(III) dithiolene complexes

  摘要：

  Eight new sulfur-rich [CpCo(dithiolene)] complexes were synthesized from [Zn(dmit)(2)](2-) as a starting material. The structures, electrochemical behavior and electronic absorption spectra of the sulfur-rich [CpCo(S2C2S2Y)] complexes could be compared with the early data of analogous Ni complexes. [CpCo (pddt)] (Y= -(CH2)(3)-), [CpCo(dpdt)] (Y = -CH2C(CH2)CH2-), [CpCo(bddt)] (Y = -(CH2)(4)-), [CpCo(dtdt)] (Y = -CH2SCH2-) and [CpCo(poddt)] (Y = -CH2C(O)CH2-) crystallized in all isostructural with the corresponding paramagnetic [CpNi(dithiolene)](center dot) complexes, but [CpCo(dmid)] (Y =C=O), [CpCo(dddt)] (Y= -(CH2)(2)-) and [CpCo(F(2)pddt)] (Y= -CH2CF2CH2-) crystallized in non-isostructural with them. These molecules are associated with intermolecular short S center dot center dot center dot S contacts in the crystals. [CpCo(F(2)pddt)] did not show any remarkable S center dot center dot center dot S contacts but indicated interesting fluorine segregation and Cp center dot center dot center dot Cp face-to-face interactions. Redox potentials of [CpCo(dithiolene)] complexes were obtained with the cyclic voltammetry measurements and dimerized by electrochemical oxidations. Electronic absorption spectra of [CpCo(dithiolene)] complexes showed visible absorption in the range of 585-701 nm as lowest energy wavelengths (epsilon = 9800-11,800 M-1 cm(-1)) in solutions, and they were higher energy than those of [CpNi (dithiolene)](center dot) complexes (near-IR). (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.05.024