tetrakis(supersilyl)-tetrahedro-tetragallane | 223660-33-1

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: tetrakis(supersilyl)-tetrahedro-tetragallane
• 英文别名: (tri-tert-butylsilyl)4Ga4；tetrasupersilyl-tetrahedro-tetragallane
• CAS: 223660-33-1
• 化学式: C₄₈H₁₀₈Ga₄Si₄
• 分子量: 1076.62
• InChiKey: YFOVFIGRALCMTB-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：

  tetrakis(supersilyl)-tetrahedro-tetragallane 在 air 作用下， 以 正庚烷 为溶剂， 生成 (GaO(tri-tert-butylsilyl))4
  参考文献：
  名称：

  Tetrasupersilyl-tetrahedro-tetragallan (tBu3Si)4Ga4—ein Tetrahedran mit besonders kompaktem Ga4-Tetraedergerüst

  摘要：

  Reaction of R-2*GaX (R* = Supersilyl Si'Bu-3, X = Cl, Br) with R*Na leads in heptane at room temperature to the dark blue radical R-2(*.)-GaR* which transforms at 100 degrees C in heptane into (Bu3Si.)-Bu-t and dark violet R-4*Ga-4 (1). According to X-ray structure analysis. 1 contains a very compact Ga-4 tetrahedron (average Ga-Ga bond length 2.572 Angstrom). With oxygen, the thermo- and water-stable compound 1 reacts under formation of colorless R-4*Ga4O4 = [R*GaO](4), which after X-ray structure analysis contains a Ga4O4 heterocubane. By hydrolysis, tetrameric oxogallane R*GaO transforms into a tetrameric dihydrooxogallane R*Ga(OH)(2) which, according to X-ray structure analysis, forms chains of molecules [R*Ga(OH)(2)](4), held together by water molecules. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00836-5
• 作为产物：
  描述：

  tris(tri-tert-butylsilyl)digallanyl 以 正庚烷 为溶剂， 以65.8%的产率得到tetrakis(supersilyl)-tetrahedro-tetragallane
  参考文献：
  名称：

  Tetrasupersilyl-tetrahedro-tetragallan (tBu3Si)4Ga4—ein Tetrahedran mit besonders kompaktem Ga4-Tetraedergerüst

  摘要：

  Reaction of R-2*GaX (R* = Supersilyl Si'Bu-3, X = Cl, Br) with R*Na leads in heptane at room temperature to the dark blue radical R-2(*.)-GaR* which transforms at 100 degrees C in heptane into (Bu3Si.)-Bu-t and dark violet R-4*Ga-4 (1). According to X-ray structure analysis. 1 contains a very compact Ga-4 tetrahedron (average Ga-Ga bond length 2.572 Angstrom). With oxygen, the thermo- and water-stable compound 1 reacts under formation of colorless R-4*Ga4O4 = [R*GaO](4), which after X-ray structure analysis contains a Ga4O4 heterocubane. By hydrolysis, tetrameric oxogallane R*GaO transforms into a tetrameric dihydrooxogallane R*Ga(OH)(2) which, according to X-ray structure analysis, forms chains of molecules [R*Ga(OH)(2)](4), held together by water molecules. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-328x(98)00836-5

文献信息

• Supersilylverbindungen Der Borgruppenelemente, IV [1]. Supersilylelementhalogenide tBu₃SIEX₂ Und (tBu₃Si)₂Ex Mit E = Al, Ga, In: Synthesen, Eigenschaften, Strukturen [2] / Supersilylated Compounds of the Thirteenth Group, IV [I]. Supersilylelement Halides tBu₃SIEX₂ And (tBu₃Si)₂Ex with E = Al, Ga, In: Syntheses, Properties, Structures [2]
  作者：Nils Wiberg、Kerstin Amelunxen、Hans-Wolfram Lemer、Heinrich Nöth、Jörg Knizek、Ingo Krossing

  DOI：10.1515/znb-1998-0312

  日期：1998.3.1

  Water and oxygen sensitive compounds (tBu₃SiEX₂)2, tBu₃SiEX₂ Do and (tBu₃Si)2EX (E = AI, Ga, In; X = (F), Cl, Br; Do = OR₂, NR₃) have been synthezised by reaction of EX₃ with tBu₃SiNa in the absence or presence of donors. In addition, (tBu₃Si)AlBr₂, (tBu₃Si)₂InF and tBu₃SiInBr₂ were prepared by reaction of AlBr₃ with (tBu₃Sij₂Zn or of (tBu₃Si)₂In- In(Si/Bu₃)₂ with AgF₂ and HBr, respectively. The adduct [tBu₃SiAlBr₂ · AlBr₃ ·1/2MgBr₂]₂ is formed from AlBr₃ and (tBu₃Si)₂Mg(THF)₂. Thermal decomposition of the compounds in solution or in the gas phase leads to the formation of tBu₃SiEX₂ (from the dimers or the donor adducts) and of tBu₃SiX. The Lewis acidity of tBu₃SiEX₂ against donors increases in the direction Do = Et₂O < THF < NEtMe₂. Dehalogenation of (tBu₃Si)₂ECl with tBu₃SiNa(THF)₂ in pentane at room temperature leads to clusters (tBu₃Si)₄Al₂, (tBu₃Si)₃Ga₂ ^•, (tBu₃Si)₄In₂ and (tBu₃Si)₃Ga₂Na(THF)₃, reduction of tBu₃SiGaCl₂ with Na or K in heptane at 100°C to the tetrahedran (tBu₃Si)₄Ga₄. The structures of (tBu₃SiGaCl₂)₂, (tBu₃Si)₂GaCl, and [tBu₃SiAlBr₂ AlBr₃ ·1/2MgBr₂]₂ have been determined by X-ray structure analysis.

  摘要：水和氧敏感化合物(tBu3SiEX2)2，tBu3SiEX2 Do和(tBu3Si)2EX(E = AI，Ga，In；X = (F)，Cl，Br；Do = OR2，NR3)已通过EX3与tBu3SiNa在有无供体的情况下反应合成。此外，(tBu3Si)AlBr2，(tBu3Si)2InF和tBu3SiInBr2通过AlBr3与(tBu3Sij2Zn或(tBu3Si)2In-In(Si/Bu3)2与AgF2和HBr反应制备。加合物[tBu3Si · ·1/2MgBr2]2由 和(tBu3Si)2Mg(THF)2形成。溶液中或气相中化合物的热分解导致tBu3SiEX2(来自二聚体或供体加合物)和tBu3SiX的形成。tBu3SiEX2对供体的Lewis酸性在Do = Et2O < THF < NEtMe2方向上增加。在室温下，将(tBu3Si)2ECl与tBu3SiNa(THF)2在戊烷中脱卤化，导致(tBu3Si)4Al2，(tBu3Si)3Ga2•，(tBu3Si)4In2和(tBu3Si)3Ga2Na(THF)3团簇的形成，将tBu3SiGaCl2与Na或K在庚烷中加热至100°C还原为四面体(tBu3Si)4Ga4。通过X射线结构分析确定了(tBu3SiGaCl2)2，(tBu3Si)2GaCl和[tBu3Si ·1/2MgBr2]2的结构。
• A decagallane(6) cluster Ga10[Si(CMe3)3]6 with an unprecedented structure
  作者：Gerald Linti、Annekathrin Seifert

  DOI：10.1039/b802959h

  日期：——

  The decagallane(6) Ga10R′6 [R′ = Si(CMe3)3] adopts a quite unusual structure, which might be described as being derived from a pentagonal bipyramidal core, which is threefold capped. An alternative description is that of a conjuncto-cluster. The structure of the anionic cluster [Ga10R′6]− as well as that of Ga10R″6 [R″ = Si(SiMe3)3] are described as being built of fused octahedra. Thus, this family of decagallanes is unique in showing structural isomers in the cluster core, giving hints to the pathways of formation of these clusters, too. The novel cluster compound is characterized by X-ray crystallography. Isomeric decagallanes(6) and structural changes on reduction are studied by DFT methods.

  癸烷（6）Ga10R′6 [R′ = Si(CMe3)3]采用了一种非常不寻常的结构，可以说它是由一个五边形双锥核心衍生出来的，该核心具有三重封顶。另一种描述是共轭簇。阴离子簇[Ga10R′6]- 和 Ga10R″6 [R″ = Si(SiMe3)3] 的结构被描述为由融合的八面体构成。因此，该十碳醛家族在簇核结构异构方面是独一无二的，这也为这些簇合物的形成途径提供了线索。该新型簇化合物的特征是 X 射线晶体学。通过 DFT 方法研究了癸醛异构体(6)和还原时的结构变化。
• Das Hexagallan [Ga6{SiMe(SiMe3)2}6] und dascloso-Hexagallanat [Ga6{Si(CMe3)3}4(CH2C6H5)2]2—— derÜbergang zu einem ungewöhnlichenprecloso-Cluster
  作者：Gerald Linti、Stella Çoban、Dimple Dutta

  DOI：10.1002/zaac.200300338

  日期：2004.2

  Hexagallane [Ga6SiMe(SiMe3)2}6] and the closo-Hexagallanate [Ga6Si(CMe3)3}4 (CH2C6H5)2]2— — the Transition to an Unusual precloso-Cluster The closo hexagallanate [Ga6R4(CH2Ph)2]2— (R = SitBu3) as well as the hexagallane Ga6R6 (R = SiMe(SiMe3)2) with only six cluster electron pairs were isolated from reactions of “GaI” with the corresponding silanides. The structure of the latter is derived from an octahedron

  Aus der Reaktion von “Gal” mit den entsprechenden Silaniden wurden das closo-Hexagallanat [R4(PhCH2)2Ga6]2— (R = SitBu3) sowie das Hexagallan Ga6R6 (R = SiMe(SiMe3)2) Die Struktur des letzteren wird durch Jahn-Teller-Verzerrung aus dem oktaedrischen Cluster abgeleitet und ist die nach dem dem Wade-Mingos-Konzept erwartete uberkappte trigonal-bipyramidale Struktur。Beide Verbindungen wurden mittels
• On the Gallanyls R*3Ga2· and R*4Ga3· As Well As Gallanides R*3Ga2− and R*4Ga3− (R* = SitBu3) − Syntheses, Characterization, Structures
  作者：Nils Wiberg、Thomas Blank、Kerstin Amelunxen、Heinrich Nöth、Jörg Knizek、Tassilo Habereder、Wolfgang Kaim、Matthias Wanner

  DOI：10.1002/1099-0682(200107)2001:7<1719::aid-ejic1719>3.0.co;2-q

  日期：2001.7
• Wiberg, Nils; Blank, Thomas; Westerhausen, Matthias, European Journal of Inorganic Chemistry
  作者：Wiberg, Nils、Blank, Thomas、Westerhausen, Matthias、Schneiderbauer, Stefan、Schnoeckel, Hansgeorg、et al.

  DOI：——

  日期：——