tetra-dithiopropionate-dipalladium | 873787-54-3

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: tetra-dithiopropionate-dipalladium
• 英文别名: palladium(2+);propanedithioate
• CAS: 873787-54-3
• 化学式: C₁₂H₂₀Pd₂S₈
• 分子量: 633.659
• InChiKey: KJCKLPHLSKJSNM-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  5.08
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  potassium tetrachloropalladate(II) 、 dithiopropionic acid 以 乙醚 为溶剂， 以92%的产率得到tetra-dithiopropionate-dipalladium
  参考文献：
  名称：

  Synthesis of a One-Dimensional Metal-Dimer Assembled System with Interdimer Interaction, M₂(dtp)₄ (M = Ni, Pd; dtp = Dithiopropionato)

  摘要：

  A metal-dimer assembled system, M-2(dtp)(4) (M = Ni, Pd; dtp = dithiopropionate, C2H5CS2-), was synthesized and analyzed by the X-ray single-crystal diffraction method, UV-vis-near-IR spectra of solutions, solid-state diffuse reflectance spectroscopies, and electrical conductivity measurements. The structures exhibit one-dimensional metal-dimer chains of M-2(dtP)(4) with moderate interdimer contact. These complexes are semiconducting or insulating, which is consistent with the fully filled d(Z2) band of M-II(d(8)). Interdimer metal-metal distances were 3.644(2) angstrom in Ni-2(dtp)(4) and 3.428(2) angstrom in Pd-2(dtp)(4), each of which is marginally longer than twice the van der Waals radius of the metal. Interdimer charge-transfer transitions were nevertheless observed in diffuse reflectance spectra. The origin of this transition is considered to be due to an overlap of two adjacent d(a*) orbitals, which spread out more than the d(Z2) orbital because of the antibonding d(sigma*) character of the M(d(Z2))-M(d(Z2)). The Ni-2(dtp)(4) exhibited an interdimer charge-transfer band at a relatively low energy region, which is derived from the Coulomb repulsion of the 3d(sigma*). orbital of Ni.

  DOI：

  10.1021/ic051387f