[Mo2(O2CCMe3)3(2,3,3-tricyanoacrylamidate)] | 722458-44-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Mo2(O2CCMe3)3(2,3,3-tricyanoacrylamidate)]
• CAS: 722458-44-8
• 化学式: C₂₁H₂₈Mo₂N₄O₇
• 分子量: 640.356
• InChiKey: YUVKBSLZKDZZLP-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [Mo2(O2CCMe3)3(2,3,3-tricyanoacrylamidate)] 以 苯甲腈 为溶剂， 生成 [Mo(III)Mo(II)(O2CCMe3)3(2,3,3-tricyanoacrylamidate)](1+)
  参考文献：
  名称：

  Electrochemical, Spectroscopic, and Structural Evidence for the Mild Hydrolysis of Tetracyanoethylene, TCNE, To Form the 2,3,3-Tricyanoacrylamidate Ligand:  Isolation of an Unexpected Quadruply-Bonded Polymeric Material [Mo₂(O₂CCMe₃)₃((NC)₂CC(CN)CONH)]_∞

  摘要：

  Under strictly anhydrous conditions, no reaction occurs between Mo-2(O2CCMe3)(4) and tetracyanoethylene, TCNE, at room temperature, but after addition of 1 equiv of water, a reaction proceeds to form [Mo-2(O2CCMe3)(3)((NC)(2)CC(CN)CONH)], 1. The compound contains a quadruple-bonded MO2 unit and the 2,3,3-tricyanoacrylamidate anion as a ligand (TC3A), a very unusual hydrolyzed form of TCNE. Two different solid-state structures were obtained after crystallization of 1. Crystals obtained from CH2Cl2 consist of a two-dimensional network, and crystals grown from a C6H6 solution form a 1-D chain motif. In both cases, the TC3A ligand acts as a polydentate ligand involving a bidentate OCN bridging unit and two CN groups. The electrochemical and spectroscopic (IR, UV/vis/near-IR, NMR, EPR) properties of 1 support the formulation in solution as a discrete 1:1 complex of the TC3A donor ligand and a Mo-2 unit with no charge transfer. The coordinated TC3A ligand exhibits redox properties similar to those of free TCNE.

  DOI：

  10.1021/ic0351186
• 作为产物：
  描述：

  [Mo(III)Mo(II)(O2CCMe3)3(2,3,3-tricyanoacrylamidate)](1+) 以 苯甲腈 为溶剂， 生成 [Mo2(O2CCMe3)3(2,3,3-tricyanoacrylamidate)]
  参考文献：
  名称：

  Electrochemical, Spectroscopic, and Structural Evidence for the Mild Hydrolysis of Tetracyanoethylene, TCNE, To Form the 2,3,3-Tricyanoacrylamidate Ligand:  Isolation of an Unexpected Quadruply-Bonded Polymeric Material [Mo₂(O₂CCMe₃)₃((NC)₂CC(CN)CONH)]_∞

  摘要：

  Under strictly anhydrous conditions, no reaction occurs between Mo-2(O2CCMe3)(4) and tetracyanoethylene, TCNE, at room temperature, but after addition of 1 equiv of water, a reaction proceeds to form [Mo-2(O2CCMe3)(3)((NC)(2)CC(CN)CONH)], 1. The compound contains a quadruple-bonded MO2 unit and the 2,3,3-tricyanoacrylamidate anion as a ligand (TC3A), a very unusual hydrolyzed form of TCNE. Two different solid-state structures were obtained after crystallization of 1. Crystals obtained from CH2Cl2 consist of a two-dimensional network, and crystals grown from a C6H6 solution form a 1-D chain motif. In both cases, the TC3A ligand acts as a polydentate ligand involving a bidentate OCN bridging unit and two CN groups. The electrochemical and spectroscopic (IR, UV/vis/near-IR, NMR, EPR) properties of 1 support the formulation in solution as a discrete 1:1 complex of the TC3A donor ligand and a Mo-2 unit with no charge transfer. The coordinated TC3A ligand exhibits redox properties similar to those of free TCNE.

  DOI：

  10.1021/ic0351186