mer-Mo(PMe2Ph)3Cl3 | 58918-78-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: mer-Mo(PMe2Ph)3Cl3
• CAS: 58918-78-8
• 化学式: C₂₄H₃₃Cl₃MoP₃
• 分子量: 616.746
• InChiKey: QNSLVOUEDKGMKU-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  8.23
• 重原子数：
  31.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  mer-Mo(PMe2Ph)3Cl3 以 异丙醇 为溶剂， 生成 dichlorotris(dimethylphenylphosphine)oxomolybdenum(IV)
  参考文献：
  名称：

  Studies of distortional isomers: spectroscopic evidence that green cis,mer-dichlorotris(dimethylphenylphosphine)oxomolybdenum(IV) is a mixture

  摘要：

  The blue (1) and green (2) forms of cis,mer-MoOCl2(PMe2Ph)3 are not distortional isomers. An authentic sample of green 2 has been chromatographically and spectroscopically characterized to be a 65:35 mole fraction mixture of blue cis,mer-MoOCl2(PMe2Ph)3 and yellow mer-MoCl3(PMe2Ph)3 (yellow 3), respectively. Thin-layer chromatography separates green 2 into two individual peaks due to blue 1 and yellow 3. Elemental analysis of green 2 shows a significantly higher percent chlorine relative to blue 1, consistent with the presence of a 0.35 mole fraction of yellow 3 in green 2. Both infrared (500-150 cm-1) and Raman (1625-125 cm-1) spectra of green 2 have distinct features due to contributions from blue 1 and yellow 3. Furthermore, Raman spectra of blue 1 and green 2 indicate a nu(Mo=O) band at 944 +/- 1 cm-1 that is conspicuously absent in the spectrum of yellow 3. The 500-MHz H-1 NMR spectrum for green 2 shows several resonances characteristic of paramagnetic yellow 3 in the regions +7.5 to + 11.5 ppm and -22 to -41 ppm. Visible spectroscopy implies that the color of green 2 is due to the summation of absorptions from blue 1 and yellow 3. X-ray photoelectron spectroscopy (XPS) of the Mo 3d regions resolves the contributions from the Mo(IV) (blue 1) and Mo(III) (yellow 3) species in green 2. Both the visible and XPS results confirm the 65:35 (blue 1:yellow 3) molar composition of green 2. The facile cocrystallization of blue 1 and yellow 3 to give green 2 is likely driven by the increased entropy of the green 2 crystals, which decreases the free energy of crystallization. Similar compositional disorder processes are probably responsible for the anomalous bond lengths ascribed to distortional (bond stretch) isomerism in other series of inorganic complexes.

  DOI：

  10.1021/ja00024a027
• 作为产物：
  描述：

  trichlorotris(tetrahydrofuran)molybdenum(III) 、 二甲基苯基磷 在 Zn 作用下， 以 四氢呋喃 为溶剂， 以50%的产率得到mer-Mo(PMe2Ph)3Cl3
  参考文献：
  名称：

  Yoon, Keum; Parkin, Gerard; Rheingold, Arnold L., Journal of the American Chemical Society, 1992, vol. 114, # 6, p. 2210 - 2218

  摘要：

  DOI：

文献信息

• Galindo, Agustín; Pastor, Antonio; Pérez, Pedro J., Organometallics, 1993, vol. 12, # 11, p. 4443 - 4451
  作者：Galindo, Agustín、Pastor, Antonio、Pérez, Pedro J.、Carmona, Ernesto

  DOI：——

  日期：——
• Ali, Hapipah Mohd.; Leigh, Jeffery G., Journal of the Chemical Society, Dalton Transactions, 1986, p. 213 - 216
  作者：Ali, Hapipah Mohd.、Leigh, Jeffery G.

  DOI：——

  日期：——
• Poli, Rinaldo; Gordon, John C., Inorganic Chemistry, 1991, vol. 30, # 24, p. 4550 - 4554
  作者：Poli, Rinaldo、Gordon, John C.

  DOI：——

  日期：——
• Poli, Rinaldo; Mui, Humberto D., Inorganic Chemistry, 1991, vol. 30, # 1, p. 65 - 77
  作者：Poli, Rinaldo、Mui, Humberto D.

  DOI：——

  日期：——