| 142808-82-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 142808-82-0
• 化学式: C₃₆H₄₀N₂S₄
• 分子量: 628.991
• InChiKey: BLHSPQXGNHJTEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.85
• 重原子数：
  42.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  24.72
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 三氯化铁 以 乙醇 为溶剂， 以41%的产率得到
  参考文献：
  名称：

  A convenient route to iron(III)-thiolates: Synthesis and characterization of low-spin (S = ) iron(III) complexes having the chromophore FeN2S*2S2 (S* = thioether)

  摘要：

  Three air-stable iron(III) complexes with homoleptic hexadentate ligands with the donor set N2S2*S2 (S* = thioether, S = thiolate) have been isolated. The two thiol groups present in each ligand are initially protected as their t-butyl derivatives. When iron(III) chloride is allowed to reflux with any of these thiol-protected ligands the S-Bu(t) linkages are cleaved forming the corresponding iron(III)-thiolates in high yields. The complexes are characterized by electronic absorption, EPR and room-temperature Mossbauer spectroscopic as well as room-temperature magnetic susceptibility studies. As the spectral data indicate each complex has a pseudo-octahedral coordination geometry around the metal ion. The effective magnetic moment values at 300 K lie in the range 2.24-2.30, corresponding to low-spin iron(III) (S = 1/2) complexes with significant orbital contribution. One of the complexes exhibits a quasi-reversible Fe(III)/Fe(II) couple at E(f) = - 1.66 V (vs S.C.E.), while another complex shows a quasi-reversible Fe(IV)/Fe(III) couple at E(f) = 0.86 V (vs S.C.E.).

  DOI：

  10.1016/s0277-5387(00)81470-9

文献信息

• Hexa-coordinated copper(II) complexes having CuN2S2*S2 (S* = thioether) chromophore: synthesis, electrochemistry and spectroscopy
  作者：S. Mandal、P.K. Bharadwaj

  DOI：10.1016/s0277-5387(00)84471-x

  日期：1992.1

  Four stable, neutral hexa-coordinated copper(II) complexes with the N2S2*S2 (S* = thioether) donor set have been isolated in the solid state. A dichloro complex of copper(II) has also been prepared with the chromophore CuN2S2*Cl2, where the two thiolates are replaced by two chlorides. These complexes have tetragonal coordination geometry around copper(II) with g(parallel-to) > g(perpendicular-to) > g(e) and A(parallel-to) values within 101-115 G in acetonitrile glass. and show an intense absorption band around 600 nm attributable to thiolate --> copper(II) LMCT transition. In acetonitrile the complexes show well-defined cyclic responses in their cyclic voltammograms at room temperature.