ethylenedioxytetrathiafulvalenoquinone-1,3-diselenolemethide | 958298-49-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶英
• 英文名称: ethylenedioxytetrathiafulvalenoquinone-1,3-diselenolemethide
• 英文别名: EDO-TTFVODS；2-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-5-(1,3-diselenol-2-ylidene)-1,3-dithiolan-4-one；2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dioxin-2-ylidene)-5-(1,3-diselenol-2-ylidene)-1,3-dithiolan-4-one
• CAS: 958298-49-2
• 化学式: C₁₁H₆O₃S₄Se₂
• 分子量: 472.351
• InChiKey: IJCLLZKCJJMZNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.85
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  137
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  tetrabutylammonium tetrachloroferrate(III) 、 ethylenedioxytetrathiafulvalenoquinone-1,3-diselenolemethide 、 1,2-二氯乙烷 以 1,2-二氯乙烷 为溶剂， 生成 (ethylenedioxytetrathiafulvalenoquinone-1,3-diselenolemethide)2(FeBr4)*(1,2-dichloroethane)0.5
  参考文献：
  名称：

  An Antiferromagnetic Molecular Metal Based on a New Bent-Donor Molecule

  摘要：

  The crystal of a (ethylenedioxytetrathiafulvalenoquinone-1,3-diselenolemethide, 1)2 center dot FeBr4 center dot(1,2-dichloroethane, DCE)(1/2) salt obtained by electrochemical oxidation of 1 in DCE containing a supporting electrolyte, NBU4 center dot FeBr4, exhibits metallic conductivity down to 0.45 K. The negative magnetoresistance of the electrical resistance (11) in the conducting ab -plane suggests stronger interactions between the d spins of the FeBr4- ions and the conducting Pi electrons than those in the FeCl4- salt of the corresponding 1,3-dithiolemethide donor molecule. The d spins order antiferromagnetically at 4.5 K, the highest temperature obtained so far in antiferromagnetic molecular metals with significant Pi-d interactions.

  DOI：

  10.1021/ja074840q