digallium;carbanide;oxido(triphenyl)silane | 14740-53-5

• 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: digallium;carbanide;oxido(triphenyl)silane
• CAS: 14740-53-5
• 化学式: C₄₀H₄₂Ga₂O₂Si₂
• 分子量: 750.389
• InChiKey: ARWHRRFRHANLHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.07
• 重原子数：
  46
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  三甲基镓 、 三苯基硅醇 以 苯 为溶剂， 以77%的产率得到digallium;carbanide;oxido(triphenyl)silane
  参考文献：
  名称：

  Silylated gallium and indium chalcogenide ring systems as potential precursors to ME (E=O, S) materials

  摘要：

  摘要：R3M（M=Ga，In）与HESiR′3（E=O，S；R′3=Ph3，iPr3，Et3，tBuMe2）的反应在室温下高产率地形成(Me2GaOSiPh3)2(1)；(Me2GaOSitBuMe2)2(2)；(Me2GaOSiEt3)2(3)；(Me2InOSiPh3)2(4)；(Me2InOSitBuMe2)2(5)；(Me2InOSiEt3)2(6)；(Me2GaSSiPh3)2(7)；(Et2GaSSiPh3)2(8)；(Me2GaSSiiPr3)2(9)；(Et2GaSSiiPr3)2(10)；(Me2InSSiPh3)3(11)；(Me2InSSiiPr3)n(12)。这些化合物经过多核NMR表征，并在大多数情况下通过X射线晶体学进行了表征。已确定了(1)、(4)、(7)和(8)的分子结构。化合物(3)、(6)和(10)在室温下为液体。在固态中，(1)、(4)、(7)和(9)为二聚体，其二聚体的中心核由M2E2四元环组成。对(7)的VT-NMR研究显示在溶液中四元环和六元环之间有易于重新分布。通过TGA检测了(1)–(12)的热分解，温度范围为200至350°C。对(1)和(2)的大量热解导致形成Ga2O3；(4)和(5)形成In金属；(7)–(10)形成GaS；(11)–(12)形成InS粉末。

  DOI：

  10.2478/s11532-013-0255-y

文献信息

• Formation of Digallium Sites in the Reaction of Trimethylgallium with Silica
  作者：Ziyad A. Taha、Eric W. Deguns、Swarup Chattopadhyay、Susannah L. Scott

  DOI：10.1021/om051034o

  日期：2006.4.1

  The room-temperature, gas-solid reaction of volatile GaMe3 with a nonporous silica was studied by elemental and gas-phase analysis, in situ IR and H-1, C-13, and Si-29 solid-state NMR, and extended X-ray absorption fine structure (EXAFS) spectroscopy. Most of the grafting (similar to 85%) occurred on Q(3) sites, O3SiOH, but a small amount (similar to 15%) of siloxane (O3SiO-SiO3) bond cleavage was also observed. The major, if not the only, gallium product has the empirical formula SiOGaMe2, but it is not an "isolated" site. The Ga K-edge EXAFS of GaMe3-modified silica, recorded at 10 K, reveals that each Ga has a Ga neighbor at 2.97-2.99 A. The sites are best described as [GaM2(mu-OSi )](2). To strengthen this assignment, a molecular analogue, [GaMe2(mu-OSiPh3)](2), was characterized by both single-crystal X-ray diffraction and EXAFS. The Ga2O2 rings in the molecular complex and the silica-supported gallium dimer have very similar dimensions. The gallium dimer is formed on the silica surface regardless of the extent of partial dehydroxylation (varied by pretreatment in vacuo at 100 and 500 degrees C). This result is interpreted in terms of a vicinal disposition for the majority of Q3 grafting sites.