Bis(piperidinium)-tetrathioterephthalat | 70071-45-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Bis(piperidinium)-tetrathioterephthalat
• 英文别名: dipiperidinium tetrathioterephthalate；Dipiperidinium-tetrathioterephthalat；piperidinium tetrathioterephthalate；(C5H12N)2(tttp)
• CAS: 70071-45-3
• 化学式: 2C₅H₁₂N*C₈H₄S₄
• 分子量: 400.698
• InChiKey: GWNVOBFOJPWMFW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  12.03
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Bis(piperidinium)-tetrathioterephthalat 在 三氟乙酸酐 作用下， 以 乙醚 、 氯仿 、 丙酮 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Gotthardt, Hans; Pflaumbaum, Wolfgang, Chemische Berichte, 1987, vol. 120, p. 61 - 66

  摘要：

  DOI：
• 作为产物：
  描述：

  哌啶 、 对苯二甲酸二甲酯 在 甲醇 、 bis(1,5-cyclooctadiylboryl)sulfide 作用下， 生成 Bis(piperidinium)-tetrathioterephthalat
  参考文献：
  名称：

  Koester, Roland; Kucznierz, Ralf; Seidel, Guenter, Chemische Berichte, 1992, vol. 125, # 5, p. 1023 - 1032

  摘要：

  DOI：

文献信息

• Novel Coordination Polymers Based on the Tetrathioterephthalate Dianion as the Bridging Ligand
  作者：Eleftheria Neofotistou、Christos D. Malliakas、Pantelis N. Trikalitis

  DOI：10.1021/ic701414v

  日期：2007.10.1

  The first examples of coordination polymers based on the tetrathioterephthalate dianion as the bridging ligand are reported. Two novel compounds, [M(S2CC6H4CS2)(DMF)(2)](DMF) (M = Zn, Mn; DMF = dimethylformamide), have been synthesized, and their structural and optical properties were investigated.
• Enhanced Electronic Coupling in a Molecular Pair of Dimolybdenum Units Bridged by a Tetrathioterephthalate Dianion
  作者：Mei Juan Han、Chun Y. Liu、Peng Fei Tian

  DOI：10.1021/ic900956k

  日期：2009.7.20

  Two covalently bonded dimolybdenum units have been assembled with a tetrathioterephthalate dianion (tttp(2-)), yielding the first full S-donor dimetal molecular dyad [Mo-2(DAniF)(3)](S2CC6H4CS2)[Mo-2(DAniF)(3)] (DAniF = N,N'-di-p-anisylformamidinate). This linear molecule has a Mo-2 center dot center dot center dot Mo-2 separation of 12 angstrom as determined by X-ray crystallographic analysis. Large potential separations (Delta E-1/2) for the successive oxidations of the two dimetal centers and greatly red-shifted metal-to-ligand charge-transfer absorption have been observed as compared to the terephthalate and dithioterephthalate analogues. In addition, further electrochemical oxidations result in a pair of quasi-reversible two-electron redox waves separated by ca. 250 mV.