4,7,10,13,19-pentathiabicyclo-[14.2.1]-nonadeca-1(18),16-diene | 370086-32-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4,7,10,13,19-pentathiabicyclo-[14.2.1]-nonadeca-1(18),16-diene
• 英文别名: 4,7,10,13,19-Pentathiabicyclo[14.2.1]nonadeca-1(18),16-diene
• CAS: 370086-32-1
• 化学式: C₁₄H₂₂S₅
• 分子量: 350.659
• InChiKey: PWTCMNKVLQDCGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  129
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 4,7,10,13,19-pentathiabicyclo-[14.2.1]-nonadeca-1(18),16-diene 以 乙醇 、 二氯甲烷 、 乙腈 为溶剂， 以75%的产率得到[Cu(I)(4,7,10,13,19-pentathiabicyclo-[14.2.1]-nonadeca-1(18),16-diene)](ClO4)
  参考文献：
  名称：

  A thiophenophane ligand with endodentate coordination

  摘要：

  A new thiophenophane has been synthesized which has encapsulated a Cu(I) ion. Endodentate coordination has been possible by a -CH2CH2- spacer between the thiophene and sulfur. Geometrical and electronic characteristics are very similar to [Cu(18S6)](+). The crystal structure of [Cu(4.7,10,13,19-pentathiabicyclo[14.2.11-nonadeca-1(18),16-diene)](2)[CuCl4].H2O represents the first example of a Cu(I) complex whose charge is compensated by a Cu(II) species. Although no interaction exists between the cationic and anionic centers in the solid, as evidenced by X-ray analysis, an interaction indeed takes place in solution. It has been proven that the electrochemical properties in solution are not the sum of the individual contributions. but they are required to be the result of an interaction between the cationic and anionic complexes. most probably generating new bonds. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00866-x