mono(hydroxytriphenylarsonium) mono(tetrabromocuprate(II)) | 139312-27-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: mono(hydroxytriphenylarsonium) mono(tetrabromocuprate(II))
• CAS: 139312-27-9
• 化学式: Br₄Cu*2C₁₈H₁₆AsO
• 分子量: 1029.65
• InChiKey: WMWOBUHRMJZBKG-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  5.03
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  三苯胂氧化物 、 basic copper carbonate monohydrate 在 HBr 作用下， 以 乙醇 为溶剂， 生成 mono(hydroxytriphenylarsonium) mono(tetrabromocuprate(II))
  参考文献：
  名称：

  Synthesis, structure, and electronic and EPR spectra of copper(II) complexes containing the tetrabromocuprate(2-) anion and triphenylarsine oxide

  摘要：

  The preparation and characterization of (Ph3AsOH)2[CuBr4] and [Cu(Ph3AsO)4] [CuBr4] are reported (Ph3AsO = triphenylarsine oxide). Crystallographic analysis of the monoclinic crystals of (Ph3AsOH)2[CuBr4] (space group C2/c, a = 17.569 (3) angstrom, b = 13.090 (2) angstrom, c = 16.933 (2) angstrom, and beta = 105.64 (2)-degrees, R = 0.055 and R(W) = 0.057) revealed the presence of compressed [CuBr4]2- tetrahedra of C2 symmetry with Cu-Br distances of 2.340 (1) and 2.437 (1) angstrom and trans-Br-Cu-Br angles of 139.2 (1) and 122.4 (1)-degrees. The oxonium cations hydrogen bond to the bromine atoms involved in the longer Cu-Br bonds and the smaller trans-Br-Cu-Br angle. Single-crystal electronic and EPR spectra are interpreted in terms of the observed [CuBr4]2- geometry. Analysis of the electronic and EPR spectra of [Cu(Ph3AsO)4] [CuBr4] led to the postulation of the presence of planar [Cu(Ph3AsO)4]2+ cations and distorted tetrahedral [CuBr4]2- anions.

  DOI：

  10.1021/ic00036a012