Cu(dimethylacetylene) | 89397-80-8

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: Cu(dimethylacetylene)
• 英文别名: but-2-yne;copper
• CAS: 89397-80-8
• 化学式: C₄H₆Cu
• 分子量: 117.638
• InChiKey: IUBQHQZDPKDFTE-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：

  2-丁炔 、 铜 以 further solvent(s) 为溶剂， 生成 Cu(dimethylacetylene) 、 Cu(dimethylacetylene)2
  参考文献：
  名称：

  Howard; Sutcliffe; Tse, Organometallics, 1984, vol. 3, # 6, p. 859 - 866

  摘要：

  DOI：

文献信息

• Howard; Sutcliffe; Tse, Organometallics, 1984, vol. 3, # 6, p. 859 - 866
  作者：Howard、Sutcliffe、Tse、Mile

  DOI：——

  日期：——
• Gas-phase reactions of copper atoms with alkynes: sequential ligand addition via steady-state kinetics
  作者：M. A. Blitz、S. A. Mitchell、P. A. Hackett

  DOI：10.1021/j100122a021

  日期：1993.5

  A time-resolved study of gas-phase reactions of copper atoms with methylacetylene (MA) and dimethylacetylene (DMA) has been undertaken, using Ar buffer ps at total pressures in the range 10-600 Torr. At 292 and 325 K, both reactions display kinetics consistent with formation of a 1:1 complex, which may either redissociate or add a second ligand to form a 1:2 complex. The copper atom decay kinetics followed single-exponential behavior, which indicates that the intermediate 1:1 complex was at steady-state. Perturbations to the kinetics were observed due to the presence of large mole fractions of reactant in the buffer gas. These include a novel ''chemical activation'' reaction channel, which occurs by successive collision of two ligand molecules with Cu, without intervening third-body stabilization of the 1:1 collision complex by inert buffer gas. Analysis of the data yielded rate parameters for both the first and second ligand addition reactions, from which binding energies of the 1:1 complexes were estimated: DELTAE0-degrees [Cu-MA] = 32 +/- 6 kJ mol-1; DELTAE0-degrees [Cu-DMA] = 36 +/- 6 kJ mol-1. RRKM unimolecular reaction theory calculations were performed to model the kinetics of the first ligand addition reactions and to provide estimates of lower limits for the binding energies of the 1:2 complexes. For both alkynes, the second ligands are bound significantly more strongly than the first.