gold hydride

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: gold hydride
• 英文别名: gold(I) hydride；gold monohydride；Gold;molecular hydrogen；gold;molecular hydrogen
• 化学式: AuH
• 分子量: 197.974
• InChiKey: XIGCUCALLFMKQL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.24
• 重原子数：
  1
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  金 在 氢气 作用下， 生成 gold hydride
  参考文献：
  名称：

  Farkas, A., Zeitschrift für physikalische Chemie. Abteilung B, Chemie der Elementarprozesse, Aufbau der Materie, 1929, vol. 5, p. 467 - 475

  摘要：

  DOI：

文献信息

• Gas-Phase Studies of Group-11 Cation (Cu⁺, Ag⁺, and Au⁺) Reactions with 2-Propanol in a Supersonic Beam-Expansion Source
  作者：Ya-Chien Huang、Po-Hua Su、Chen-Sheng Yeh

  DOI：10.1246/bcsj.74.677

  日期：2001.4

  The gas-phase reactions of group-11 ions (Cu+,Ag+, and Au+) with 2-propanol were investigated using laser vaporization combined with supersonic beam expansion in a time-of-flight mass spectrometer. A number of reaction pathways, including assoication, dehydrogenation, and dehydration, were observed. Among these metal ions, Au+ is highly reactive toward 2-propanol. The experimental results are parallel to studies by Wilkins et al. using an FT-ICR mass spectrometer (J. Am. Chem. Soc., 107, 7316 (1985)). The geometries and binding energies of all complexes M+–L, where M+ = Cu+, Ag+ , and Au+, L = 2-propanol, acetone, propene, and H2O, were estimated using Møller–Plesset perturbation (MP2) and density functional theory (BLYP). The bond strengths of the complex ions involving gold revealed the strongest bonding, due to a relativistic effect. The energetic relationship between the reactants and the products facilitated an interpretation of the observed exit channels. Because of the supersonic beam source employed, larger clusters containing metal ions were generated as well. Because the cluster sizes with solvent molecules were ≥ 2, the reactivities were apparently limited to Cu+ and Ag+ clusters, while the reactive nature changed in Au+ along with the formation of acetone, lacking in the bare Au+ reactions. For larger clusters, calculations on Ag+–(2-propanol)2 and Ag+–(2-propanol)(acetone) complexes using BLYP were performed to obtain their energetics.

  对11族离子（Cu+、Ag+和Au+）与2-丙醇的气相反应进行了研究，采用激光蒸发结合超声速束扩展的飞行时间质谱仪。观察到多种反应途径，包括结合、脱氢和脱水。在这些金属离子中，Au+对2-丙醇的反应性最高。实验结果与Wilkins等人使用FT-ICR质谱仪的研究结果相符（J. Am. Chem. Soc., 107, 7316 (1985)）。所有复合物M+–L的几何结构和结合能的估算使用了Møller–Plesset微扰（MP2）和密度泛函理论（BLYP），其中M+ = Cu+、Ag+和Au+，L = 2-丙醇、丙酮、丙烯和H2O。涉及金的复合离子的键强度显示出最强的结合，原因在于相对论效应。反应物与产物之间的能量关系有助于对观察到的反应通道进行解释。由于使用了超声速束源，还生成了包含金属离子的较大簇。由于与溶剂分子的簇大小≥2，反应性显然仅限于Cu+和Ag+簇，而在Au+中反应性质随着丙酮的形成而发生变化，这在裸Au+反应中是缺失的。对于较大的簇，使用BLYP对Ag+–(2-丙醇)2和Ag+–(2-丙醇)(丙酮)复合物进行了能量计算。
• Crystal structure of gold hydride
  作者：Valentina F. Degtyareva

  DOI：10.1016/j.jallcom.2014.12.262

  日期：2015.10

  transition metal hydrides with close-packed metal sublattices of fcc or hcp structures with hydrogen in octahedral interstitial positions were obtained by the high-pressure hydrogen technique described by Ponyatovskii et al, Sov. Phys. Usp. 25 (1982) 596. In this paper we consider volume increase of metals by hydrogenation and possible crystal structure of gold hydride in relation with the structure of mercury

  通过 Ponyatovskii 等人描述的高压氢技术获得了许多具有 fcc 或 hcp 结构的密堆积金属亚晶格的过渡金属氢化物，氢在八面体间隙位置。物理。USP。25 (1982) 596. 在这篇论文中，我们考虑了金属氢化的体积增加以及与汞的结构有关的氢化金的可能晶体结构，汞的结构是元素周期表中金的最近邻。建议的 AuH 结构具有基本的四方体心晶胞，与汞结构 Hg-tI2 非常相似。在费米球-布里渊区相互作用模型中讨论了这种结构的稳定性原因。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Au: MVol.3, 7.4, page 666 - 678
  作者：

  DOI：——

  日期：——
• Gold Is Noble but Gold Hydride Anions Are Stable
  作者：Xuefeng Wang、Lester Andrews

  DOI：10.1002/anie.200351780

  日期：2003.11.3
• Gold Hydrides AuH and (H₂)AuH and the AuH₃ Transition State Stabilized in (H₂)AuH₃:  Infrared Spectra and DFT Calculations
  作者：Xuefeng Wang、Lester Andrews

  DOI：10.1021/ja012261u

  日期：2001.12.1