monochlorogallane | 43311-11-1

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 后过渡金属盐
• 英文名称: monochlorogallane
• 英文别名: Gallium chloride (GaCl)；chlorogallane
• CAS: 43311-11-1
• 化学式: ClGaH₂
• 分子量: 107.192
• InChiKey: ZTOTZNQLPUUQML-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.23
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  monochlorogallane 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  单氯gal烷，[H2GaCl] n以及与胺和膦碱加成物的分解：形成阳离子加仑衍生物。

  摘要：

  一氯镓烷[H2GaCl] n在环境温度下的热分解导致亚价镓物种的形成。现在向先前报道的Ga [HGaCl3]中添加了第二种混合价态固体Ga4 [HGaCl3] 2 [Ga2Cl6]（1），其晶体结构在150 K下显示出许多不同寻常的特征。最容易从碱和LiGaH4的盐酸盐中适当比例制备的一氯代gallane加合物不仅包括1：1分子配合物Me3P.GaH2Cl（2），还包括被证明是阳离子加仑衍生物的2：1胺配合物， [H 2 Ga（NH 2 R）2] + Cl-，其中R ＝ tBu（3a）或sBu（3b）。所有这三种配合物均已在150 K上进行了结晶学表征。

  DOI：

  10.1021/ic050986j
• 作为产物：
  描述：

  gallium chloride 、 氢气 以 solid matrix 为溶剂， 生成 monochlorogallane
  参考文献：
  名称：

  Koeppe, Ralf; Schnoeckel, Hansgeorg, Journal of the Chemical Society, Dalton Transactions, 1992, # 23, p. 3393 - 3396

  摘要：

  DOI：

文献信息

• Preparation and Properties of Gallaborane, GaBH₆:  Structure of the Gaseous Molecule H₂Ga(μ-H)₂BH₂ As Determined by Vibrational, Electron Diffraction, and ab Initio Studies, and Structure of the Crystalline Solid at 110 K As Determined by X-ray Diffraction
  作者：Anthony J. Downs、Tim M. Greene、Emma Johnsen、Paul T. Brain、Carole A. Morrison、Simon Parsons、Colin R. Pulham、David W. H. Rankin、Kirsten Aarset、Ian M. Mills、Elizabeth M. Page、David A. Rice

  DOI：10.1021/ic001338x

  日期：2001.7.1

  spectra. The IR spectrum of the vapor at low pressure implies the presence of only one species, viz. H(2)Ga(mu-H)(2)BH(2), with a diborane-like structure conforming to C(2v) symmetry. The structure of this molecule has been determined by gas-phase electron diffraction (GED) measurements afforced by the results of ab initio molecular orbital calculations. Hence the principal distances (r(alpha) in A) and

  Gallaborane（GaBH（6），1），由LiBH（4）与[H（2）GaCl] [n]的复分解反应合成，约在。250 K通过化学分析，IR和（1）H和（11）B NMR光谱进行了表征。低压下蒸气的红外光谱表明仅存在一种物质，即。H（2）Ga（mu-H）（2）BH（2），具有符合C（2v）对称性的乙硼烷样结构。该分子的结构已通过气相电子衍射（GED）测量确定，该测量受从头计算分子轨道的结果增强。因此，主要距离（A中的rα）和角度（度中的α角）如下：r（Ga.B），2.197（3）；r（Ga-H（t）），1.555（6）; r（Ga-H（b）），1.800（6）; r（BH（t）），1.189（7）; r（BH（b）），1.286（7）; 角度H（b）-Ga-H（b），71.6（4）; 和angleH（b）-BH（b），110.0（5）（t =终端，b =桥接）。分子的聚集发生在凝聚相中。在110
• Formation and Characterization of the Indium Hydride Molecules H₂InCl and HInCl₂:  Matrix Isolation and Quantum Chemical Studies
  作者：Hans-Jörg Himmel、Anthony J. Downs、Tim M. Greene

  DOI：10.1021/ja9932333

  日期：2000.2.1

  Indium monochloride, InCl, adds HCl or H2 when isolated together with these molecules in an argon matrix at 12 K and photoactivated by broad-band UV−visible radiation. On the basis of the infrared spectra of the matrices (including the effects of 1H/2H and 35Cl/37Cl isotopic change) and of density functional theory (DFT) calculations, the products of the reactions were identified as the discrete indium

  一氯化铟 (InCl) 在 12 K 的氩气基质中与这些分子一起分离并通过宽带紫外-可见辐射光活化时，会添加 HCl 或 H2。根据基质的红外光谱（包括 1H/2H 和 35Cl/37Cl 同位素变化的影响）和密度泛函理论 (DFT) 计算，反应产物被鉴定为离散的氢化铟分子 HInCl2 和H2InCl。HInCl2 也是含有 In 原子和 HCl 的基质发生光解反应的产物之一；HGaCl2 和 H2GaCl 都是在相似条件下由 Ga 原子形成的。H2InCl 的所有六个振动基础 (3a1 + 1b1 + 2b2) 和 HInCl2 的六个振动基础中的五个已被确定；
• Insights into the Thermal Fragmentation of Intramolecularly Coordinated Gallanes. A Matrix-Isolation FTIR Study
  作者：Eliza Gemel、Jens Müller

  DOI：10.1021/ic035496a

  日期：2004.6.28

  High-vacuum thermolyses (400-1000 degreesC) of the intramolecularly coordinated gallanes [Me2N(CH2)(3)](2)GaX [X = Cl (1), Br (2)] and (Me2NCH2CD2CH2)(2)GaBr (2D(4)) have been investigated with matrix-isolation FTIR techniques. Around 850 degreesC, the fragmentation of these compounds was completed, and their typical IR absorptions could no longer be detected in argon matrices. Products have been identified with IR spectroscopy with the help of ab initio and DFT calculations and known literature data. In the case of precursors 1 and 2, respectively, we identified GaH3, XGaH2, X2GaH, GaH, GaX, HX, HCN, CH4, H2C=CH2, H2C=CHCH3, H2C=NMe, [H2CCHCH2](.), and H2C CHCH2NMe2. In the case of the precursor 2D(4), we found GaH3, GaH2D, BrGaH2, BrGaDH, GaH, GaD, GaBr, HBr, HCN, CH4, H2C=CD2, H2C=CDCH3, H2C=NMe, [H2CCDCH2](.), and H2C=CDCH2NMe2. Among the monomeric hydrides, BrGaH,. and BrGaDH were isolated for the first time. These compounds have been characterized by their six normal modes, and the experimental frequencies have been compared to the results of MP2(fc)/6-311+G(2d,p) and B3LYP/6-311+G(2d,p) calculations. These results have been interpreted by assuming that the intramolecularly coordinated precursors 1, 2, and 2D(4) eliminate their ligands through Ga-C homolysis and beta-hydrogen elimination.
• Some Chemical Properties of Monochlorogallane:  Decomposition to Gallium(I) Trichlorogallate(III), Ga⁺[GaCl₃H]^-, and Other Reactions
  作者：Emma Johnsen、Anthony J. Downs、Michael J. Goode、Timothy M. Greene、Hans-Jörg Himmel、Matthias Müller、Simon Parsons、Colin R. Pulham

  DOI：10.1021/ic010128x

  日期：2001.8.27

  Thermal decomposition of monochlorogallane, [H2GaCl](n), at ambient temperatures releases H-2 and results in the formation of gallium(I) species, including the new compound Ga[GaHCl3], which has been characterized crystallographic ally at 100 K (monoclinic P2(1)/n, a = 5.730(1), b = 6.787(1), c = 14.508(1) Angstrom, beta = 97.902(5)degrees) and by its Raman spectrum. The gallane suffers symmetrical cleavage of the Ga(mu -Cl)(2)Ga bridge in its reaction with NMe3 but unsymmetrical cleavage, giving [H2Ga(NH3)(2)]Cl-+(-), in its reaction with NH3. Ethene inserts into the Ga-H bonds to form first [Et(H)GaCl](2) and then [Et2GaCl](2).
• Fischer, Roland A.; Behm, Joachim; Priermeier, Thomas, Angewandte Chemie, 1993, vol. 105, p. 776 - 778
  作者：Fischer, Roland A.、Behm, Joachim、Priermeier, Thomas、Scherer, Wolfgang

  DOI：——

  日期：——