2,2-bis(tetrathiafulvalenyl)-1,1-diphenylethylene | 225514-58-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,2-bis(tetrathiafulvalenyl)-1,1-diphenylethylene
• 英文别名: 2-(1,3-Dithiol-2-ylidene)-4-[1-[2-(1,3-dithiol-2-ylidene)-1,3-dithiol-4-yl]-2,2-diphenylethenyl]-1,3-dithiole
• CAS: 225514-58-9
• 化学式: C₂₆H₁₆S₈
• 分子量: 584.941
• InChiKey: AQRFGCDLXBXILK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2,2-bis(tetrathiafulvalenyl)-1,1-diphenylethylene 在 碘 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  1,1-Bis(tetrathiafulvalenyl)ethylene. A unique cross-conjugated dimeric tetrathiafulvalene

  摘要：

  1,1-Bis(tetrathiafulvalenyl)ethylenes, synthesized using the palladium-catalyzed cross-coupling of 4-trimethylstannyl-TTF with 2,2-disubstituted 1,1-dibromoethylenes, were converted into the corresponding CT-complexes and cation-radical salts to determine the electric conductivities and magnetic properties. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00300-7
• 作为产物：
  描述：

  1,1'-(2,2-二溴-1,1-乙烯二基)二苯 、 (trimethylstannyl)tetrathiafulvalene 在 四(三苯基膦)钯 作用下， 以 苯 为溶剂， 反应 24.0h， 以57%的产率得到2,2-bis(tetrathiafulvalenyl)-1,1-diphenylethylene
  参考文献：
  名称：

  1,1-Bis(tetrathiafulvalenyl)ethylene. A unique cross-conjugated dimeric tetrathiafulvalene

  摘要：

  1,1-Bis(tetrathiafulvalenyl)ethylenes, synthesized using the palladium-catalyzed cross-coupling of 4-trimethylstannyl-TTF with 2,2-disubstituted 1,1-dibromoethylenes, were converted into the corresponding CT-complexes and cation-radical salts to determine the electric conductivities and magnetic properties. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)00300-7

文献信息

• Spin-spin coupling between the two unpaired electrons in cross-conjugated tetrathiafulvalene dication radicals
  作者：Jun Yamauchi、Takuo Aoyama、Katsuichi Kanemoto、Shigeru Sasaki、Masahiko Iyoda

  DOI：10.1002/(sici)1099-1395(200004)13:4<197::aid-poc229>3.0.co;2-2

  日期：2000.4

  Spin-spin interactions were examined for bis(tetrathiafulvalenyl) (TTF) derivatives bridged with a 1,1-vinyl group (2,2-diphenyl, 1: 2,2-fluorenylidene, 2; and 2,2-dimethyl, 3). The chemical oxidation of these cross-conjugated TTFs using AgClO4 yielded characteristic seven-line ESR spectra, indicating the exchange interactions between the unpaired electrons on each TTF moiety. Compounds 2 and 3, in addition, exhibited fine structures and half-field resonances in the frozen solutions, which evidence the tripler interaction in the solid state, even with a twisted geometry of the molecular configuration. These findings substantiate the possibility of spin-spin interactions or triplet ground states predicted for some TTF oligomers. Copyright (C) 2000 John Wiley & Sons, Ltd.