[CuCl(dpth)(PPh₃)₂] | 1412895-94-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [CuCl(dpth)(PPh₃)₂]
• CAS: 1412895-94-3
• 化学式: C₅₁H₄₂ClCuN₂OP₂S
• 分子量: 891.92
• InChiKey: ISRBKGUKANWOBO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.51
• 重原子数：
  59.0
• 可旋转键数：
  11.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  41.13
• 氢给体数：
  2.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  5,5-二苯基-2-硫代海因 、 三苯基膦 、 copper(l) chloride 以 乙腈 为溶剂， 以61%的产率得到[CuCl(dpth)(PPh₃)₂]
  参考文献：
  名称：

  Copper(I) halide complexes of 2-thiohydantoin and 5,5-diphenyl-2-thiohydantoin

  摘要：

  A series of copper(I) halide complexes formulated as [CuX(L)(2)] [X = Cl, Br; L = 2-thiohydantoin (th) and 5,5-diphenyl-2-thiohydantoin (dpth)] were prepared and their photophysical and thermal (TG-DTA) behaviour was investigated. Further treatment of these complexes with triphenylphosphane gave mixed-ligand compounds [CuX(L)(PPh3)(2)]. Solutions of the complexes are emissive in the solid state and in solution at ambient temperature, with the lowest energy emitting excited states assigned to MLCT/XLCT transitions. The crystal structures of [CuBr(th)(2)] and [CuCl(PPh3)(2)(th)] revealed planar trigonal and distorted tetragonal coordination environment around the Cu(I) centres, respectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.08.065