[2,6-[2,6-(i-Pr)2C6H3N-C=(CH2)]2(C5H3N)]VCl(THF) | 848641-35-0

• 英文名称: [2,6-[2,6-(i-Pr)2C6H3N-C=(CH2)]2(C5H3N)]VCl(THF)
• CAS: 848641-35-0
• 化学式: C₃₇H₄₉ClN₃OV
• 分子量: 638.21
• InChiKey: HZHOJVVTTYERJZ-UHFFFAOYSA-M

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：

  [2,6-[2,6-(i-Pr)2C6H3N-C=(CH2)]2(C5H3N)]VCl(THF) 在 potassium 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到[2,6-[2,6-(i-Pr)2C6H3N-C=(CH2)]2(C5H3N)(THF)V]2(μ-N2)*hexane
  参考文献：
  名称：

  Dinitrogen Partial Reduction by Formally Zero- and Divalent Vanadium Complexes Supported by the Bis-iminopyridine System

  摘要：

  Reduction of the two trivalent 2,6-{[2,6-(i-Pr)(2)C6H5]N=C(CH3)](2)(C5H3N)VCl3 and [2,6-{[2,6-(i-Pr)(2)C6H3]N-C=(CH2)}(2)(C5H3N)]-VCI(THF) complexes with excess NaH afforded two corresponding end-on dinitrogen-bridged complexes [2,6-{[2,6-(i-Pr)(2)C6H5]N=C(CH3)}(2)(C5H3N)V](2)(m-N-2).(hexane) (1) and [{[2,6-{[2,6-(i-Pr)(2)C6H3)N-C=(CH2)}(2)(C5H3N)]V](2)(m-N-2).(hexane) (3). Despite their very close structural similarity, the two species have completely different natures. The first is paramagnetic and may be regarded as generated by the two-electron attack of two formally zerovalent vanadium moieties on the same N-2 unit. In the nearly diamagnetic 3 instead, the N2 unit has been reduced by two vanadium atoms, formally divalent. Structural analysis and DFT calculations have indicated that partial reduction of the bridging nitrogen occurred for both complexes while, in the case of 1, substantial metal-to-ligand electron transfer also occurs.

  DOI：

  10.1021/ic048358+
• 作为产物：
  描述：

  [VCl3(thf)3] 、 [2,6-[2,6-(i-Pr)2C6H3N-C=(CH2)]2(C5H3N)](2-) 以 not given 为溶剂， 生成 [2,6-[2,6-(i-Pr)2C6H3N-C=(CH2)]2(C5H3N)]VCl(THF)
  参考文献：
  名称：

  Dinitrogen Partial Reduction by Formally Zero- and Divalent Vanadium Complexes Supported by the Bis-iminopyridine System

  摘要：

  Reduction of the two trivalent 2,6-{[2,6-(i-Pr)(2)C6H5]N=C(CH3)](2)(C5H3N)VCl3 and [2,6-{[2,6-(i-Pr)(2)C6H3]N-C=(CH2)}(2)(C5H3N)]-VCI(THF) complexes with excess NaH afforded two corresponding end-on dinitrogen-bridged complexes [2,6-{[2,6-(i-Pr)(2)C6H5]N=C(CH3)}(2)(C5H3N)V](2)(m-N-2).(hexane) (1) and [{[2,6-{[2,6-(i-Pr)(2)C6H3)N-C=(CH2)}(2)(C5H3N)]V](2)(m-N-2).(hexane) (3). Despite their very close structural similarity, the two species have completely different natures. The first is paramagnetic and may be regarded as generated by the two-electron attack of two formally zerovalent vanadium moieties on the same N-2 unit. In the nearly diamagnetic 3 instead, the N2 unit has been reduced by two vanadium atoms, formally divalent. Structural analysis and DFT calculations have indicated that partial reduction of the bridging nitrogen occurred for both complexes while, in the case of 1, substantial metal-to-ligand electron transfer also occurs.

  DOI：

  10.1021/ic048358+