bis(1,4-di-t-butyl-1,4-diazabuta-1,3-diene)gallium | 124592-82-1

• 英文名称: bis(1,4-di-t-butyl-1,4-diazabuta-1,3-diene)gallium
• 英文别名: Ga[But-DAB]2；[Ga(((Bu(t))NC(H))2)2]
• CAS: 124592-82-1
• 化学式: C₂₀H₄₀GaN₄
• 分子量: 406.287
• InChiKey: DISMWJUTFASJFM-HJPYQBAYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  bis(1,4-di-t-butyl-1,4-diazabuta-1,3-diene)gallium 、 N,N′-di-tert-butyl-N,N′-dilithiodiazadienide 生成
  参考文献：
  名称：

  Brown, David S.; Decken, Andreas; Cowley, Alan H., Journal of the American Chemical Society, 1995, vol. 117, # 19, p. 5421 - 5422

  摘要：

  DOI：
• 作为产物：
  描述：

  pentamethylcyclopentadienylgallium(I) 、 N,N'-二丁基-1,2-乙二亚胺 以 甲苯 为溶剂， 以91%的产率得到bis(1,4-di-t-butyl-1,4-diazabuta-1,3-diene)gallium
  参考文献：
  名称：

  Differing Reactivities of Cp*Ga toward Diazabutadienes:  Synthesis of Novel 1-Galla-2,5-diazoles and of the Known Radical Ga[Bu^t-DAB]₂

  摘要：

  The heterocycles [([eta (1)-Cp*)GaN(Dipp)CH=CHN(Dipp)] (1) and [(eta (1)-Cp*)GaN(Dep)CH= CHN(Dep)] (2) were obtained by oxidative addition of (eta (5)-pentamethylcyclopentadienyl)gallium(I) (Cp*Ga) to Dipp-DAB (1,4-bis(2,6-diisopropylphenyl)-1,4-diazabuta-1,3-diene) and Dep-DAB (1,4-bis(2,6-diethylphenyl)-1,6diazabuta-1,3-diene), respectively. Compounds 1 and 2 are the first examples of monomeric gallium-containing heterocycles of the diazabutadiene (DAB) type. 1 was structurally characterized by X-ray crystallography. In contrast, the reaction of Cp*Ga with But-DAB (1,4-di-tert-butyl-1,4-diazabuta-1,3-diene) led to the formation of the known radical (Ga[Bu-t-DAB](2)) (3) in high yield, thus providing an alternative synthesis to the cocondensation technique used previously. Radical 3 was further characterized by H-1 NMR spectroscopy and cyclic voltammetric studies, which revealed two reversible oxidation steps and one reversible reduction step.

  DOI：

  10.1021/om001045b

文献信息

• Direct synthesis of organometallics V. Direct synthesis of isopropylcyclopentadienyl M(I) compounds of Ga, Tl, Mn and Cu via metal vapour cocondensation, and their spectroscopic characterization
  作者：Matthias Tacke、Roland Teuber

  DOI：10.1016/s0022-2860(96)09523-3

  日期：1997.6

  reactions. The reaction is believed to pass through a metal fulvene complex in a first step, which is characterized for Ga by quantum mechanical methods. For the gallium case a tucked-in η 6 bonding mode with formation of Ga(II), instead of coordination to an η 5 cylopentadienyl or η 4 fulvene, is observed. Following the formation of this first intermediate, a complete mechanism is developed by using semiempirical

  摘要 Ga、Tl、Cu 和 Mn 的金属原子与 6,6-二甲基富烯的共缩合导致形成 Cp i M(I) 衍生物（Cpi = C 5 H 4 CHMe 2 ），在这种情况下，需要铜和锰——亚磷酸三甲酯作为共配体来填充它们的配位层。值得注意的是，通过使用新开发的带有冷却内部排水管的共聚容器，可以合成不耐热的 Cp i Ga(I)。该物质在高达 -30°C 的溶液中是稳定的，因此其 71 Ga NMR 和 MS 光谱以及以下反应的特征。据信该反应在第一步中通过金属富烯配合物，通过量子力学方法对 Ga 进行表征。对于镓的情况，形成 Ga(II) 的 η 6 键合模式，而不是与 η 5 环戊二烯基或 η 4 富烯的配位，被观察到。在第一个中间体形成之后，通过使用半经验计算开发了一个完整的机制。所得几何形状和反应焓与锡原子与富烯的反应进行了比较，富烯以形成安莎锡烯而告终。与该反应相反，在亚磷酸三甲酯存在下钴原子与
• Reactions of gallium hydrides with 1,4-di-t-butyl-1,4-diazabutadiene; subvalent and hydrometallation products
  作者：Mark J. Henderson、Colin H. L. Kennard、Colin L. Raston、Graham Smith

  DOI：10.1039/c39900001203

  日期：——

  Reaction of LiGaH4 and gallium metal with 1,4-di-t-butyl-1,4-diazabutadiene (dbdab) in diethyl ether at room temperature yields the monomeric, formally gallium(II) species [Ga(dbdab)2], (1), previously prepared using metal vapours, and GaH3·NMe3 with dbdab in hexane at –80 °C yields the novel hydrogallation product [H2Ga}2µ-N(But)CH2}2], (2) which has magnetically distinct geminal hydrides (2JHH

  LiGaH 4和金属镓与乙醚中的1,4-二叔丁基-1,4-二氮杂丁二烯（dbdab）在室温下反应，生成单体形式的镓（II）物种[Ga（dbdab）2 ]， （1），先前使用金属蒸气和GaH 3 ·NMe 3与dbdab在己烷中于–80°C制备，可产生新型氢化镓化产物[H 2 Ga} 2 µ-N（Bu t）CH 2 } 2 ]。 ，（2）具有与晶体结构（ 2.01 3）一致的磁性不同的双氢化物（2 J HH 44 Hz）埃， 1.5 6 A）和IR数据（νGa-H 1920，1870厘米-1）。
• Reactions of a Gallium(II)−Diazabutadiene Dimer, [{{[(H)C(Bu^t)N]₂}GaI}₂], with [ME(SiMe₃)₂] (M = Li or Na; E = N, P, or As):  Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes
  作者：Karen L. Antcliff、Robert J. Baker、Cameron Jones、Damien M. Murphy、Richard P. Rose

  DOI：10.1021/ic0486825

  日期：2005.3.21

  gallium(II) complex [(Bu(t)-DAB)GaI}2] (Bu(t)-DAB = (Bu(t))NC(H)}2) with the alkali metal pnictides [ME(SiMe3)2] (M = Li or Na; E = N, P, or As) have been carried out under a range of stoichiometries. The 1:2 reactions have led to a series of paramagnetic gallium(III)-pnictide complexes, [(Bu(t)-DAB)GaE(SiMe3)2}I] (E = N, P, or As), while two of the 1:4 reactions afforded [(Bu(t)-DAB)GaE(SiMe3)2}2] (E

  顺磁性镓（II）配合物[（Bu（t）-DAB）GaI} 2]（Bu（t）-DAB = （Bu（t））NC（H）} 2）与碱金属的反应农药[ME（SiMe3）2]（M = Li或Na； E = N，P或As）已在一定的化学计量比范围内进行。1：2反应导致产生一系列顺磁性的镓（III）-肽络合物[（Bu（t）-DAB）Ga E（SiMe3）2} I]（E = N，P或As）， 1：4反应中的两个反应得到[（Bu（t）-DAB）Ga E（SiMe3）2} 2]（E = P或As）。相反，用4当量的[NaN（SiMe3）2]处理[（Bu（t）-DAB）GaI} 2]导致了新型的镓杂环偶联反应和双自由基物质[（Bu（t ）-DAB）Ga N（SiMe3）2} [CC（H）N2（Bu（t））2] Ga [N（SiMe3）2] CH3}]。已经探索了这种异常反应的机制，证据表明它涉及分子内
• Synthesis and X-ray crystal structure of the first homoleptic main group diazadiene complex, bis(1,4-di-t-butyl-1,4-diazabuta-1,3-diene) gallium
  作者：F. Geoffrey N. Cloke、Graeme R. Hanson、Mark J. Henderson、Peter B. Hitchcock、Colin L. Raston

  DOI：10.1039/c39890001002

  日期：——

  Cocondensation of gallium vapour with 1,4-di-t-butyl-1,4-diazabuta-1,3-diene (Butdab) affords the title compound as the first example of a homoleptic main group diazadiene complex; X-ray crystallography shows the molecule to possess distorted tetrahedral geometry, and together with e.s.r. and magnetic data suggests it to be a unique example of gallium(II) in which one of the diazadine ligands has been

  镓蒸气与1,4-二叔丁基-1,4-二氮杂丁-1,3-二烯（Bu t dab）的共缩合得到标题化合物，其为均配主基二氮杂二烯配合物的第一个实例；X射线晶体学显示该分子具有扭曲的四面体几何形状，并且与esr和磁数据一起表明它是镓（II）的独特实例，其中双氮杂配体之一已被双重还原。
• Electronic structure and photoelectron spectroscopy of Al(Me3CNCHCHNCMe3)2 and Ga(Me3CNCHCHNCMe3)2
  作者：F. Geoffrey N. Cloke、Christopher I. Dalby、P. James Daff、Jennifer C. Green

  DOI：10.1039/dt9910000181

  日期：——

  The He l and He ll spectra of M(Me3CNCHCHNCMe3)2 (M = Al or Ga) have been recorded. A complex band structure arising from ionization of the pi-3 levels of the diazadiene ligands can be understood by reference to the structural distortion from idealized D2d symmetry observed in the ground state. Other higher-lying bands are assigned to pi-2 and n + and n - ionizations. The electronic structure of the neutral molecules is discussed and the differences in bond lengths between the rings is attributed to a Jahn-Teller distortion that traps two electrons in the pi-3 orbital of one ring and one in the pi-3 orbital of the other.