| 438462-19-2

• CAS: 438462-19-2
• 化学式: C₂₆H₅₈Si₈Zr
• 分子量: 686.655
• InChiKey: FUZSLYNNKPDPCD-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：

  、 2,6-二甲基苯基异腈 以 氘代苯 为溶剂， 以50%的产率得到
  参考文献：
  名称：

  寡硅烷基-α，ω-二钾化合物的简单合成。

  摘要：

  DOI：

  10.1002/1521-3773(20020315)41:6<989::aid-anie989>3.0.co;2-a
• 作为产物：
  描述：

  二氯二茂锆 、 1,4-dipotassiumtetramethyl-1,1,4,4-tetrakis(trimethylsilyl)tetrasilane 以 甲苯 为溶剂， 以89%的产率得到
  参考文献：
  名称：

  寡硅烷基-α，ω-二钾化合物的简单合成。

  摘要：

  DOI：

  10.1002/1521-3773(20020315)41:6<989::aid-anie989>3.0.co;2-a

文献信息

• Synthesis of Oligosilanyl Compounds of Group 4 Metallocenes with the Oxidation State +3
  作者：Henning Arp、Michaela Zirngast、Christoph Marschner、Judith Baumgartner、Kenneth Rasmussen、Patrick Zark、Thomas Müller

  DOI：10.1021/om3001873

  日期：2012.6.11

  Recently, we showed that titanocene silyls are much more stable with Ti in the oxidation state +3. The current study demonstrates that analogous Zr and Hf compounds can also be obtained by reaction of a suitable metalate precursor with an oligosilanyl dianion. As the obtained complexes formally possess a d(1) electron configuration, they were investigated using EPR spectroscopy. The corresponding spectra indicate that the compounds can be considered to also exhibit some cyclosilanyl radical anion character. In order to understand the strong preference of disilylated titan(IV)ocenes for reductive elimination, a theoretical study of the thermodynamics of these reactions was conducted, revealing that this behavior is essentially caused by the weak Si-Ti(IV) bond.