1,2-dichlorotetramesityldigermane | 100418-04-0

• 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: 1,2-dichlorotetramesityldigermane
• CAS: 100418-04-0
• 化学式: C₃₆H₄₄Cl₂Ge₂
• 分子量: 692.831
• InChiKey: CXJOQOOFSFGSKI-UHFFFAOYSA-N

物化性质

• 沸点：
  649.0±65.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.76
• 重原子数：
  40.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  3,5-二叔丁基邻苯醌 、 1,2-dichlorotetramesityldigermane 以60%的产率得到
  参考文献：
  名称：

  RIVIERE P.; CASTEL A.; SATGE J.; GUYOT D., J. ORGANOMET. CHEM., 315,(1986) N 2, 157-164

  摘要：

  DOI：
• 作为产物：
  描述：

  1-chloro-1,1,2,2-tetramesityldigermane 在 四氯化碳 、 过氧化苯甲酰 作用下， 以 四氯化碳 为溶剂， 以66%的产率得到1,2-dichlorotetramesityldigermane
  参考文献：
  名称：

  Improved Synthesis of 1,2-Dichlorotetramesityldigermane and Other Mesitylgermanes

  摘要：

  An improved procedure for the synthesis of 1,2-dichlorotetramesityldigermane is reported.

  DOI：

  10.1080/00945719608004362

文献信息

• A computational study of the fluctional behaviour of group 14 substituted <i>ortho</i>-semiquinone radicals
  作者：K. U. Ingold、Gino A. DiLabio

  DOI：10.1139/v10-082

  日期：2011.2

  The dynamics of the 1,4-migration of some O-substituted 3,5-di-tert-butyl-ortho-semiquinone radicals have been calculated by density-functional theory (DFT). There is very good agreement in the rate constant and Arrhenius parameters between these calculations and experimental values for migration of H, D, and the Me₃Si group. For the Me₃Sn group, the calculations indicate an incredibly fast migration (k^293K = 2.0 × 10¹² s^–1), a result that is consistent with experimental data (k^293K > 10⁹ s^–1). Other O-substituents examined by DFT and compared with experimental data were H₃C and Me₂ClSn.

  密度函数理论（DFT）计算了一些 O 取代的 3,5-二叔丁基正-半醌自由基的 1,4 迁移动力学。这些计算结果与 H、D 和 Me3Si 基团迁移的实验值在速率常数和阿伦尼乌斯参数方面非常一致。对于 Me3Sn 基团，计算表明其迁移速度快得惊人（k293K = 2.0 × 1012 s-1），这一结果与实验数据（k293K > 109 s-1）一致。DFT 研究并与实验数据进行比较的其他 O 取代基为 H3C 和 Me2ClSn。
• Cycloaddition of germylenes to 3,5-di-t-butyl orthoquinone
  作者：Pierre Rivière、Annie Castel、Jacques Satgé、Daniel Guyot

  DOI：10.1016/0022-328x(86)80434-x

  日期：1986.11
• Thermolysis of a siladigermirane: evidence for the formation of a germasilene
  作者：Kim M. Baines、Jeffrey A. Cooke

  DOI：10.1021/om00056a004

  日期：1991.10

  Thermolysis of hexamesitylsiladigermirane in the presence of methanol gives two products: dimesityl(dimesitylmethoxysilyl)germane (4) and dimesitylmethoxygermane (5).
• Molecular structures of a siladigermirane and a cyclotrigermane
  作者：Kim M. Baines、Jeffrey A. Cooke、Nicholas C. Payne、Jagadese Vittal

  DOI：10.1021/om00039a056

  日期：1992.3

  The crystal molecular structures of hexamesitylsiladigermirane (1, SiGe2Mes6, Mes = 2,4,6-trimethylphenyl) and hexamesitylcyclotrigermane (2, Ge3Mes6) have been determined by X-ray analysis. The crystals of 1.2CH2Cl2 (1) and 2.2CH2Cl2 (2) are isomorphous and isostructural and crystallize in monoclinic space group C2/c with Z = 4 of dimensions a = 20.659 (3) angstrom, b = 11.827 (2) angstrom, c = 23.288 (3) angstrom, beta = 105.30 (1)-degrees, and V = 5488.4 angstrom 3 for 1 and a = 20.657 (4) angstrom, b = 11.812 (2) angstrom, c = 23.289 (3), beta = 105.34 (1)-degrees, and V = 5479.8 angstrom 3 for 2. The three metal atoms of 2 form an equilateral triangle with a mean Ge-Ge bond length of 2.538 (2) angstrom. The silicon atom in the SiGe2 core of 1 is evenly disordered over the three sites with a resulting metal-metal mean bond distance of 2.508 (3) angstrom. The molecular structures of these compounds are discussed.