| 1401352-53-1

• CAS: 1401352-53-1
• 化学式: C₁₄H₆Fe₂O₆S₂
• 分子量: 446.024
• InChiKey: ZYWUYHQKJWSQEG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  十二羰基三铁 、 2-苯基乙烯硫酮 以 甲苯 为溶剂， 反应 5.0h， 以2%的产率得到
  参考文献：
  名称：

  Synthesis and characterisation of hexacarbonyl 2-phenylethene-1,1-dithiolatodiiron

  摘要：

  2-Phenylethenethione (1) and its tautomer (10) were prepared by reaction of ethynyl benzene with S-8. The reaction of the tautomer with triiron dodecacarbonyl in dry toluene led to the formations of a classic triiron cluster, [Fe-3(mu(3)-S)(2)(CO)(9)] (2), and a novel diiron complex, [Fe-2(mu-S)(2)C=CHPh)(CO)(6)] (3). In this complex, the bridging linkage, 2-phenylethene-1,1-dithiolate, was formed during the reaction involving both C-S bond formation and cleavage. Complex 3 was fully characterised including X-ray single crystal diffraction analysis. In its solid state, the neighboring phenyl rings are within the distance of p-p stacking interaction. Its electrochemistry was carried out in both dicholormethane (DCM) and acetonitrile. It was found that the reversibility was severely affected by solvent. The complex exhibited improved reversibility in the nonpolar solvent (DCM). (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.06.042