| 94370-62-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 94370-62-4
• 化学式: C₉H₂₁I₂MoN₃O*F₆P
• 分子量: 681.998
• InChiKey: OMLRXSOEASMGLX-UHFFFAOYSA-L

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：

  在 Tl(acetylacetonate) 、 NaOH 、 ferrocenium hexafluorophosphate 、 NaB(C₆H₅)4 、 air 作用下， 以 丙酮 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, properties and crystal structures of [Mo^VL(O)l₂]PF_6′[Mo^IVL(O)l₂], [Mo^VL(O)(OMe)₂]PF_6′[Mo^VILO₂(OMe)]BPh₄and [Mo₂L₂O₃(µ-O)l][BPh₄]₂(L = 1,4,7-trimethyl-1,4,7-triazacyclononane)

  摘要：

  A series of mononuclear oxomolybdenum-(IV), -(V) and -(VI) complexes has been prepared from the precursor complex [Mo(V)L(O)I2]PF6 2 where L = 1,4,7-trimethyl-1,4,7-triazacyclononane. Compound 2 is reduced by NEt3 in MeCN yielding [Mo(IV)L(O)I2] 3. The iodide ligands in 2 may be substituted by alkoxy ligands generating paramagnetic mononuclear complexes [Mo(V)L(O)(OMe)I]PF6 4 and [Mo(V)L(O)(OMe)2]PF6 5. The latter is oxidized by H2O2 to [Mo(VI)LO2(OMe)]BPh4 6. Complex 2 was found to form the dinuclear diamagnetic species [Mo(V)2L2O2(mu-O)I2][PF6]2 7 which generates the asymmetric, diamagnetic mixed-valence complex [I(O)LMo(IV)(mu-O)Mo(VI)LO2]BPh4 8 in the presence of NaOH. Complex 8 undergoes a reversible one-electron-transfer oxidation and paramagnetic [I(O)LMo(V)(mu-O)Mo(VI)LO2][BPh4]2 9 has been isolated. The electrochemical, magnetic, and electronic structural as well as infrared and ESR spectral properties of the new complexes have been investigated. The structures of 2, 3, 5, 6 and 9 have been determined by X-ray crystallography.

  DOI：

  10.1039/dt9930001987
• 作为产物：
  描述：

  1,4,7-三甲基-1,4,7-三氮杂环壬烷 在 HI 、 HNO₃ 作用下， 以 水 、 硝酸 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Backes-Dahmann, Gabriele; Herrmann, Willy; Wieghardt, Karl, Inorganic Chemistry, 1985, vol. 24, # 4, p. 485 - 491

  摘要：

  DOI：