[Mo2Cp2(μ-SCH3)3(μ-η1,η1-acetamidato)] | 355127-68-3

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: [Mo2Cp2(μ-SCH3)3(μ-η1,η1-acetamidato)]
• 英文别名: cyclopenta-1,3-diene;ethanimidate;methanethiolate;molybdenum(3+)
• CAS: 355127-68-3
• 化学式: C₁₅H₂₃Mo₂NOS₃
• 分子量: 521.432
• InChiKey: LYQJCXUBQGJVLH-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  3.88
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  21.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [Mo2(η-C5H5)2(μMeCONH)(μ-SMe)3]BF4 在 NaBH₄ 作用下， 以 乙腈 为溶剂， 以80%的产率得到[Mo2Cp2(μ-SCH3)3(μ-η1,η1-acetamidato)]
  参考文献：
  名称：

  Acetonitrile hydration versus molybdenum oxidation at the sulfur-rich bimetallic site {MoIII2Cp2(μ-SMe)3}+. Crystal structure of the μ-η1 ∶ η1-amidato complex [Mo2Cp2(μ-MeCONH)(μ-SMe)3]

  摘要：

  当粉末状化合物[Mo2Cp2(δ-MeCONH)(δ-SMe)3]BF41a在空气中保存时，只形成顺磁性δ-酰胺类物质[Mo2Cp2(δ-MeCONH)(δ-SMe)3]BF42a+（Cp = δ--C5H5）、而在溶液中，相同的起始络合物会产生 ¼-脒基物种和 ¼-氧代络合物 [Mo2Cp2(¼-O)(δ-SMe)3]BF43的混合物。在水中加热 [Mo2Cp2(δ-Cl)(δ-SMe)3]BF4，会定量形成氧化络合物。2a+ 在 CH3CN 中被 NaBH4 还原后得到分子产物 [Mo2Cp2(δ-MeCONH)(δ-SMe)3]2a，并通过 X 射线分析对其进行了表征。

  DOI：

  10.1039/b100986i

文献信息

• Nitrate‐ and Nitrite‐Assisted Conversion of an Acetonitrile Ligand Into an Amidato Bridge at an {Mo ₂ (Cp) ₂ (μ‐SMe) ₃ } Core: Electrochemistry of the Amidato Complex [Mo ₂ (Cp) ₂ (μ‐SMe) ₃ {μ‐η ¹ ,η ¹ ‐OC(Me)NH}] ⁺
  作者：Marc Le Hénanf、Christine Le Roy、François Y. Pétillon、Philippe Schollhammer、Jean Talarmin

  DOI：10.1002/ejic.200500315

  日期：2005.10

  AbstractTreatment of [Mo2(Cp)2(μ‐SMe)3(MeCN)2]+ (1+) with NO3– or NO2– results in the conversion of one terminally bound acetonitrile ligand into an amidato bridge. The reaction produces [Mo2(Cp)2(μ‐SMe)3μ‐η1,η1‐OC(Me)NH}]0/+ (20/+) and involves the formation of an intermediate, which was detected by cyclic voltammetry but which could not be isolated, and which likely arises from the substitution of the NOx anion for one MeCN ligand. The electrochemical behaviour of 2+ was studied by cyclic voltammetry in THF and MeCN. The reduction of 2+ in the presence of acid (HBF4/H2O or HBF4/Et2O) in these solvents leads to the release of the amidate bridge. Controlled‐potential electrolysis of 2+ in MeCN in the presence of acid produces 1+ quantitatively; the charge consumed (>1 F mol–1 of 1+) indicates that electrons are also used to reduce protons. This was confirmed by the formation of 2+ (in variable amounts depending on the conditions) on treating 2 with acid. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2005)