[acetone silver(I)] | 134654-57-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [acetone silver(I)]
• 英文别名: silver;propan-2-one
• CAS: 134654-57-2
• 化学式: C₃H₆AgO
• 分子量: 165.948
• InChiKey: BGVBGWPCDGVFIK-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

• 作为产物：
  描述：

  silver perchlorate 在 (CH₃)2CO 作用下， 生成 [acetone silver(I)]
  参考文献：
  名称：

  Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ag: MVol.B1, 6.22.2.9, page 536 - 537

  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。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ag: MVol.B1, 6.22.2.9, page 536 - 537
  作者：

  DOI：——

  日期：——
• Spectra of solutions of silver and lithium perchlorates in acetone
  作者：A. D. E. Pullin、J. McC. Pollock

  DOI：10.1039/tf9585400011

  日期：——