2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl | 1220993-14-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl
• 英文别名: BTBN
• CAS: 1220993-14-5
• 化学式: C₁₇H₁₅Br₂N₂O₂S₄
• 分子量: 567.39
• InChiKey: PWPFQDXBGXXPOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.88
• 重原子数：
  27.0
• 可旋转键数：
  1.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  49.21
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazolidine-1,3-diol 在 potassium carbonate 、 lead dioxide 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以90%的产率得到2-[2-(4,5-dibromo-[1,3]dithiol-2-ylidene)-1,3-benzodithiol-5-yl]-4,4,5,5-tetramethylimidazoline-3-oxide-1-oxyl
  参考文献：
  名称：

  Influence of Magnetic Field upon the Conductance of a Unicomponent Crystal of a Tetrathiafulvalene-Based Nitronyl Nitroxide

  摘要：

  A spin-polarized donor, BTBN, which is a dibromotetrathiafulvalene derivative containing a nitronyl nitroxide group in a cross-conjugated manner, was prepared. Upon hole injection from an electrode, the neutral microcrystals of BTBN exhibited nonlinear I-V characteristics that were interpreted in terms of the space-charge-limited conduction (SCLC) mechanism. Moreover, the resistance of BTBN decreased upon application of a magnetic field below 30 K and exhibited a giant negative magnetoresistance of (R-H - R-0)/R-0 = -76% at 2 K under 5 T. These results show that the transport of carriers in the neutral unicomponent radical crystal can be controlled by the external magnetic field. These findings are important as a basis for developing molecule-based spin electronic devices.

  DOI：

  10.1021/ja9109538