tetraethylammonium [bis(N,N'-(3-thiolate-3-methylbutydyl)-o-phenylenediamidate)cobaltate(III)] | 351863-46-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tetraethylammonium [bis(N,N'-(3-thiolate-3-methylbutydyl)-o-phenylenediamidate)cobaltate(III)]
• 英文别名: cobalt(3+);2-methyl-4-[2-(3-methyl-3-sulfidobutanoyl)azanidylphenyl]azanidyl-4-oxobutane-2-thiolate;tetraethylazanium
• CAS: 351863-46-2
• 化学式: C₈H₂₀N*C₁₆H₂₀CoN₂O₂S₂
• 分子量: 525.726
• InChiKey: GWWPDJAFWDGHFI-UHFFFAOYSA-J

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：

  tetraethylammonium [bis(N,N'-(3-thiolate-3-methylbutydyl)-o-phenylenediamidate)cobaltate(III)] 、 氰化四乙基铵 、 水 、 N,N-二甲基甲酰胺 、 乙腈 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 以45%的产率得到tetraethylammonium [bis(N,N'-(3-thiolate-3-methylbutydyl)-o-phenylenediamidate)(dimethylformamide)cyanatocobaltate(III)] acetonitrile dihydrate
  参考文献：
  名称：

  Synthesis, X‐ray Structure and Properties of a Trinuclear Mixed‐Valence Co ^III ‐Co ^II ‐Co ^III Complex with Carboxamido N and Sulfinato S Donors

  摘要：

  AbstractAir oxidation of the six‐coordinate (Et4N)2[Co(N2S2)(CN)(CH3CN)] complex derived from N,N′‐(3‐mercapto‐3‐methylbutyryl)‐o‐phenylenediamine results in the formation of the trinuclear mixed‐valence complex (Et4N)4{CoII[CoIII{N2(SO2)2}(CN)(OH)]2} (3) where the thiolates have been oxidized to sulfinates. Its X‐ray structure reveals a linear arrangement of cobalt ions with bridging hydroxides and sulfinates. All cobalt ions are in a distorted octahedral environment. The mixed‐valence nature of this complex has been demonstrated by temperature‐dependent magnetic susceptibility measurements and by EPR spectroscopy both in the solid state and in solution. These data are in agreement with a high‐spin CoII. The IR spectrum shows the typical vibrations of cyanide and sulfinate at 2130 cm−1 (νCN), 1175 (νas/SO2) and 1030 cm−1 (νs/SO2). Trapping of CoII by chelex chromatography after treatment with aqueous HCl, or ” in situ” in aqueous solution, yields six‐coordinate low‐spin complexes with two different axial ligands Na3[Co{N2(SO2)2}(CN)(Cl)] (5a) and (Et4N)2[Co{N2(SO2)2}(CN)(H2O)] (5b). The pKa of the bound water molecule was estimated as 10.1 by pH‐metric titration. While 3 and 5a were inactive toward acetonitrile hydration, 5b catalyzes acetamide formation at 50 °C and pH 4.7 and 7 with low efficiency. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

  DOI：

  10.1002/ejic.200390105