4,4'-di(1H-imidazol-2-yl)-2,2'-bi(1,3-dithiolylidene) | 1265355-39-2

• 英文名称: 4,4'-di(1H-imidazol-2-yl)-2,2'-bi(1,3-dithiolylidene)
• CAS: 1265355-39-2
• 化学式: C₁₂H₈N₄S₄
• 分子量: 336.486
• InChiKey: OOZIQQJRPDDWDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.52
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.36
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  4,4'-di(1H-imidazol-2-yl)-2,2'-bi(1,3-dithiolylidene) 、 7,7,8,8-四氰基对苯二醌二甲烷 以 二氯甲烷 、 苯甲腈 、 N,N-二甲基甲酰胺 为溶剂， 生成 2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dimalononitrile compound with 4,4'-di(1H-imidazol-2-yl)-2,2'-bi(1,3-dithiolylidene) (1:1)
  参考文献：
  名称：

  Synthesis, crystal structure, and charge-transfer complexes of TTF derivatives having two imidazole hydrogen-bonding units

  摘要：

  New hydrogen-bond functionalized tetrathiafulvalene (TTF) derivatives (1 and 2) having two imidazole moieties which are attached to TTF at the 2- and 4-positions in the imidazole ring respectively were synthesized Electrochemical measurements indicated that the introduction of imidazole moieties at 2- or 4-positions slightly reduced or enhanced the electron-donating ability of TTF In the crystal structure of 1 N-H N hydrogen-bonds of the imidazole ring formed a two-dimensional sheet and further pi-stacks on the TTF skeleton built up a one-dimensional column Mixing 1 with electron-acceptors afforded fully ionic charge-transfer complexes having a 1 1 donor-acceptor ratio while complex formation of 2 with tetracyanoquinodimethane and p-chloranil yielded partial charge-transfer complexes showing semiconducting behaviors (room temperature conductivities=10(-3)-10(-2) S cm(-1)) (C) 2009 Elsevier B V All rights reserved

  DOI：

  10.1016/j.physb.2009.10.022