copper(I)(water) | 68433-64-7

• 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: copper(I)(water)
• 英文别名: copper(1+);hydrate
• CAS: 68433-64-7
• 化学式: CuH₂O
• 分子量: 81.5613
• InChiKey: ZMHWUUMELDFBCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.83
• 重原子数：
  2
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  copper(I)(water) 在 双氧水 、 仲丁醇 作用下， 以 高氯酸 为溶剂， 生成 水 、 copper;hydrate
  参考文献：
  名称：

  低价过渡金属配合物与过氧化氢的反应。它们是否“类芬顿”？1、Cu+aq和Cr2+aq的情况

  摘要：

  芬顿反应和类芬顿反应的热力学分析指出，它们的详细机制涉及在低价阳离子 ML/sub m//sup n/ 和 ML/sub 类型的过氧化氢之间形成瞬态复合物m-1//sup n//times/O/sub 2/H/sup /minus//. 该复合物可能分解为 ML/sub m//sup n+1/ + /center dot/OH 或 ML/sub m//sup n+2/ + H/sub 2/O 直接与底物反应。在酸化溶液中研究的实验数据表明 (H/sub 2/O)/sub 5/Cr/sup 2 +//times/O/sub 2/H/sup -/ 分解成 Cr(H/sub 2/O )/sub 6//sup 3 +/ + /center dot/OH 在大于或等于 0.1 mM 乙醇、2-丙醇和 2-丁醇的存在下，而 (H/sub 2/O)/sub m /Cu/sup +//中心点/O/sub 2/H/sup

  DOI：

  10.1021/ja00221a031
• 作为产物：
  描述：

  copper;hydrate 、 Co(tim)(H2O)2(2+) 以 高氯酸 为溶剂， 生成 copper(I)(water)
  参考文献：
  名称：

  Martin, Michael J.; Endicott, John F.; Ochrymowycz, Inorganic Chemistry, 1987, vol. 26, # 18, p. 3012 - 3022

  摘要：

  DOI：

文献信息

• Production of hydrated metal ions by fast ion or atom beam sputtering. Collision-induced dissociation and successive hydration energies of gaseous copper+ with 1-4 water molecules
  作者：Thomas F. Magnera、Donald E. David、Dusan Stulik、Robert G. Orth、Harry T. Jonkman、Josef Michl

  DOI：10.1021/ja00196a003

  日期：1989.7

  atoms or ions produces copious amounts of cluster ions, among which M+(H2O)n and/or M+OH(H2O)n frequently dominate. Variable-energy collision-induced dissociation of these ions in a triple quadrupole mass spectrometer yields the successive gas-phase solvation energies. Several known hydration and bond energies have been reproduced, and the first and second hydration energies of the Cu+ ion have been

  低温溅射金属盐、水合结晶过渡金属盐、磨砂金属表面和具有千电子伏能量稀有气体原子或离子的磨砂金属盐的冷冻水溶液，产生大量簇离子，其中 M+(H2O )n 和/或 M+OH(H2O)n 经常占主导地位。这些离子在三重四极杆质谱仪中的可变能量碰撞诱导解离产生连续的气相溶剂化能量。几个已知的水合能和键能已被重现，Cu+ 离子的第一和第二水合能分别确定为 35 ± 3 和 39 ± 3 kcal/mol。得出的结论是气态 Cu+ 更喜欢双配位。
• 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。
• Reaction of the aquacopper(I) ion with hydrogen peroxide. Evidence for a CuIII(cupryl) intermediate
  作者：G. R. Alastair Johnson、Najdat B. Nazhat、Rajiha A. Saadalla-Nazhat

  DOI：10.1039/f19888400501

  日期：——

  that an intermediate is formed by this reaction that reacts with methanol with a rate constant not greater than 4 × 105 dm3 mol–1 s–1, and the main features of the results are explained on this basis. The reactivity of the proposed intermediate is shown to be similar to that of the CuIIIaq(cupryl) species, produced by reaction of OH ˙ with Cu2+aq.

  CH 3 OH氧化为HCHO是在脱气的CH 3 OH + H 2 O 2 + Cu 2+水溶液进行γ辐照时发生的连锁反应。Cu +水溶液与H 2 O 2的反应是一个传播步骤。链长和HCHO生成速率对辐射剂量，CH 3 OH浓度和pH的依赖性与包括通过Cu + aq + H 2 O 2产生游离羟基自由基OH˙的机理不兼容反应。建议通过此反应形成中间体，该中间体与甲醇以不大于4×10 5 dm 3 mol –1 s –1的速率常数反应，并在此基础上解释结果的主要特征。结果表明，所提出的中间体的反应性与通过OH˙与Cu 2+ aq的反应产生的Cu III aq（cupryl）物种的反应性相似。
• Goldstein, Sara; Czapski, Gidon; Cohen, Haim, Inorganic Chemistry, 1992, vol. 31, # 5, p. 798 - 803
  作者：Goldstein, Sara、Czapski, Gidon、Cohen, Haim、Meyerstein, Dan、Cho, Jeoung-Ki、Shaik, Sason S.

  DOI：——

  日期：——
• Cohen, Haim; Meyerstein, Dan, Inorganic Chemistry, 1987, vol. 26, # 14, p. 2342 - 2344
  作者：Cohen, Haim、Meyerstein, Dan

  DOI：——

  日期：——