| 144222-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 144222-99-1
• 化学式: C₂₆H₃₆N₂O₂S₄
• 分子量: 536.848
• InChiKey: AMKJDAJDLNWNEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.51
• 重原子数：
  34.0
• 可旋转键数：
  11.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  58.2
• 氢给体数：
  2.0
• 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46%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)-thiolates—II. Synthesis and characterization of a copper(II) complex with a reversible oxidative response
  作者：S. Mandal、R. Shukla、P.K. Bharadwaj

  DOI：10.1016/s0277-5387(00)83732-8

  日期：——

  Two air-stable copper(II) complexes of homoleptic hexadentate ligands with the N2S2*S2 (S* = thioether, S = thiolate) donor set have been isolated. These complexes are dark blue in colour owing to the presence of a strong absorption peak around 600 nm, attributable to the sigma(thiolate) --> copper(II) LMCT transition. In acetonitrile, one complex provides the first example for a copper(II)-thiolate complex of a reversible cyclic voltammogram with E1/2 = 0.50 V (vs SCE). This reversible response is attributable to the oxidation of the complex. Controlled experiments to explore possible ligand oxidations indicate that the reversible response is possibly metal-centred. Exhaustive, controlled potential coulometry experiments at 0.7 V at room temperature give n = 1.02 e-, signifying the cyclic response is a one-electron process. The other complex gives a quasi-reversible cyclic voltammogram with E1/2 = 0.54 V (vs SCE).