1,1'-(trimethylsilyl)manganocene | 101932-73-4

• 英文名称: 1,1'-(trimethylsilyl)manganocene
• CAS: 101932-73-4
• 化学式: C₁₆H₂₆MnSi₂
• 分子量: 329.491
• InChiKey: JBQWACKYZWBZCJ-UHFFFAOYSA-N

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：

  manganese(II) iodide 、 1,1'-(trimethylsilyl)manganocene 、 三乙基膦 在 THF 作用下， 以 四氢呋喃 为溶剂， 以63%的产率得到{η5-(trimethylsilyl)cyclopentadienyl}(μ-iodo)(triethylphosphine)manganese(II) dimer
  参考文献：
  名称：

  Köhler, Frank H.; Hebendanz, Nikolaus; Müller, Gerhard, Organometallics, 1987, vol. 6, # 1, p. 115 - 125

  摘要：

  DOI：
• 作为产物：
  描述：

  potassium trimethylsilylcyclopentadienide 、 manganese(ll) chloride 以 四氢呋喃 为溶剂， 以70%的产率得到1,1'-(trimethylsilyl)manganocene
  参考文献：
  名称：

  锰中的电子自旋调整。关于取代基和溶剂效应的制备、顺磁 NMR 和 X 射线研究

  摘要：

  准备 d'une serie de manganocenes ou l'on fait varier un substituant par Cp et le nombre d'alkyls par Cp。练习曲 RMN de la 系列。结构 crastalline de (Me 3 SiCp) 2 Mn

  DOI：

  10.1021/ja00272a023

文献信息

• Spin Equilibria in Monomeric Manganocenes: Solid-State Magnetic and EXAFS Studies
  作者：Marc D. Walter、Chadwick D. Sofield、Corwin H. Booth、Richard A. Andersen

  DOI：10.1021/om800922j

  日期：2009.4.13

  Magnetic susceptibility measurements and X-ray data confirm that tert-butyl-substituted manganocenes [(Me3C)(n)C5H5-n](2)Mn (n=1, 2) follow the trend previously observed with the methylated manganocenes; that is, electron-donating groups attached to the Cp ring stabilize the low-spin (LS) electronic ground state relative to Cp2Mn and exhibit higher spin-crossover (SCO) temperatures. However, introducing three CMe3 groups on each ring gives a temperature-invariant high-spin (HS) state manganocene. The origin of the high-spin state in [1,2,4-(Me3C)(3)C5H2](2)Mn is due to the significant bulk of the [1,2,4-(Me3C)(3)C5H2](-) ligand, which is sufficient to generate severe inter-ring steric strain that prevents the realization of the low-spin state. Interestingly, the spin transition in [1,3-(Me3C)(2)C5H3](2)Mn is accompanied by a phase transition resulting in a significant irreversible hysteresis (Delta T-c=16 K). This structural transition was also observed by extended X-ray absorption fine-structure (EXAFS) measurements. Magnetic susceptibility studies and X-ray diffraction data on SiMe3-substituted manganocenes [(Me3Si)(n)C5H5-n](2)Mn (n=1, 2, 3) show high-spin configurations in these cases. Although tetra- and hexasubstituted manganocenes are high-spin at all accessible temperatures, the disubstituted manganocenes exhibit a small low-spin admixture at low temperature. In this respect it behaves similarily to [(Me3C)-(Me3Si)C5H3](2)Mn, which has a constant low-spin admixture up to 90 K and then gradually converts to high-spin. Thermal spin-trapping can be observed for [(Me3C)(Me3Si)C5H3](2)Mn on rapid cooling.