acetonitrile;carbanide;cyclopenta-1,3-diene;tetraphenylboranuide;vanadium(4+) | 169829-44-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: acetonitrile;carbanide;cyclopenta-1,3-diene;tetraphenylboranuide;vanadium(4+)
• CAS: 169829-44-1
• 化学式: C₁₃H₁₆NV*C₂₄H₂₀B
• 分子量: 556.452
• InChiKey: BQZSYAOWIRZARP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.85
• 重原子数：
  40
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  23.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  dimethylvanadocene 、 N,N-dimethylanilinium tetraphenylborate 以 乙腈 为溶剂， 生成 acetonitrile;carbanide;cyclopenta-1,3-diene;tetraphenylboranuide;vanadium(4+)
  参考文献：
  名称：

  Cationic Vanadium(IV) Methyl Complexes [Cp₂VMe(CH₃CN)][B(C₆H₅)₄] and [Cp₂VMe(THF)][MeB(C₆F₅)₃]

  摘要：

  The cationic vanadocene alkyl complex [Cp2VMe(CH3CN)](+) with [BPh4](-) counteranion was structurally established. The reaction of Cp2VMe2 in THF in the presence of B(C6F5)(3) is also described: EPR evidence of the intermediate formation of the [Cp2VMe(THF)](+) species, which gives, via a disproportionation redox reaction, the V-III species [Cp2V(THF)][Me B(C6F5)(3)], is demonstrated.

  DOI：

  10.1021/om010894b

文献信息

• Redox Properties of Cationic Vanadium(IV): [Cp2VCH3(CH3CN)][BPh4]
  作者：Robert Choukroun、Benedicte Douziech、Cheng Pan、Francoise Dahan、Patrick Cassoux

  DOI：10.1021/om00010a010

  日期：1995.10

  The cationic vanadium complexes [Cp(2)VCH(3)(CH3CN)](+) and [Cp(2)V(THF)](+) with [BPh(4)](-) as counterion are obtained from Cp(2)VMe(2) and [NHMe(2)Ph]BPh(4) in CH3CN or THF, respectively; in CH2Cl2, chloride abstraction from the solvent occurs via a redox decomposition, evidenced by the X-ray crystal structure of [N(CH2Cl)Me(2)Ph]BPh(4) and the formation of Cp(2)VCl. In presence of the phosphine PMe(2)Ph, [Cp(2)VCH(3)(CH3CN)](+) affords the intermediate species [Cp(2)VCH(3)(PMe(2)Ph)](+) (characterized by the EPR spectrum with resolved methyl hyperfine interaction) followed by a disproportionation and a redox reaction with [BPh(4)](-), giving Cp(2)VMe(2) and [Cp(2)V(PMe(2)Ph)](+). Preliminary studies show that [Cp(2)VCH(3)](+) is unreactive toward ethylene polymerization.