Cp*Co(9,12-2S-o-C2B10H10) | 1423066-28-7

• 英文名称: Cp*Co(9,12-2S-o-C2B10H10)
• 英文别名: Cp*Co(9,12-2S-o-C₂B₁₀H₁₀)
• CAS: 1423066-28-7
• 化学式: C₁₂H₂₅B₁₀CoS₂
• 分子量: 400.566
• InChiKey: ZEMCXAKJVJEYSE-UHFFFAOYSA-N

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

• 作为反应物：
  描述：

  Cp*Co(9,12-2S-o-C2B10H10) 、 丙炔酸甲酯 以 二氯甲烷 为溶剂， 反应 4.0h， 以90%的产率得到
  参考文献：
  名称：

  Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at the o-Carborane-9,12-dithiolate Unit

  摘要：

  : We present the first synthesis and characterization of a series of boron-fused 1,4-dithiin compounds through the reactions of newly established boron-substituted 16e half-sandwich complex Cp*Co(9,12-S2C2B10H10) with alkynes. The generated C2S2B2 ring in these 1,4-dithiin species is a stable structural motif with electron-negative sulfur atoms, as evidenced by theoretical calculation and its solid-state self-assembly. Single-crystal X-ray analysis indicates that C-carb-H center dot center dot center dot S hydrogen bonding is involved in the self-assemblies of these compounds, which serves as a compatible interaction with stronger C-carb-H center dot center dot center dot pi, C-carb-H center dot center dot center dot O, or C-carb-H center dot center dot center dot F hydrogen bonding. All new compounds are characterized by NMR, mass spectroscopy, and X-ray structural analysis.

  DOI：

  10.1021/om500411b
• 作为产物：
  描述：

  carbonyl(pentamethylcyclopentadienyl)cobalt diiodide 、 9,12-dimercapto-1,2-carborane 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以90%的产率得到Cp*Co(9,12-2S-o-C2B10H10)
  参考文献：
  名称：

  Synthesis of Boron-Fused 1,4-Dithiin via Cobalt-Mediated Disulfuration of Alkyne at the o-Carborane-9,12-dithiolate Unit

  摘要：

  : We present the first synthesis and characterization of a series of boron-fused 1,4-dithiin compounds through the reactions of newly established boron-substituted 16e half-sandwich complex Cp*Co(9,12-S2C2B10H10) with alkynes. The generated C2S2B2 ring in these 1,4-dithiin species is a stable structural motif with electron-negative sulfur atoms, as evidenced by theoretical calculation and its solid-state self-assembly. Single-crystal X-ray analysis indicates that C-carb-H center dot center dot center dot S hydrogen bonding is involved in the self-assemblies of these compounds, which serves as a compatible interaction with stronger C-carb-H center dot center dot center dot pi, C-carb-H center dot center dot center dot O, or C-carb-H center dot center dot center dot F hydrogen bonding. All new compounds are characterized by NMR, mass spectroscopy, and X-ray structural analysis.

  DOI：

  10.1021/om500411b

文献信息

• Boron-Substituted <i>o</i>-Carboranetrithiol To Construct Trimeric Cobalt Clusters
  作者：Xiaolei Zhang、Xiao Tang、Jiajia Yang、Yizhi Li、Hong Yan、Vladimir I. Bregadze

  DOI：10.1021/om400097m

  日期：2013.3.25

  A new o-carborane-based boron-substituted trithiol has been prepared via direct attachment of sulfur atoms to the B8/B9/B12 vertexes of o-carborane. On the basis of the trithiolate ligand, both the neutral 51 cluster valence electron (CVE) and the cationic 50-CVE trimeric cobalt clusters have been synthesized and structurally characterized. Electrochemical observations demonstrate that the 51-CVE cluster is electron-overloaded and readily undergoes one-electron oxidation to yield the thermodynamically stable 50-CVE species.