(1,4-dioxane-2,3-diyldithio)ethylenedithiotetrathiafulvalene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二恶烷
• 英文名称: (1,4-dioxane-2,3-diyldithio)ethylenedithiotetrathiafulvalene
• 英文别名: (1,4-dioxanediyl-2,3-dithio)ethylenedithiotetrathiafulvalene；5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-10,13-dioxa-2,4,6,8-tetrathiatricyclo[7.4.0.03,7]tridec-3(7)-ene
• 化学式: C₁₂H₁₀O₂S₈
• 分子量: 442.738
• InChiKey: YUFRAYWYOAFEQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  221
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  (1,4-dioxane-2,3-diyldithio)ethylenedithiotetrathiafulvalene 在 tetrabutylammonium fluorosulfate 作用下， 以 乙醇 、 氯苯 为溶剂， 生成 (1,4-dioxane-2,3-diyldithio)ethylenedithiotetrathiafulvalene
  参考文献：
  名称：

  New organic metal β-(DOET)2FSO3 · H2O: Synthesis and crystal structure

  摘要：

  An organic metal β-(DOET)2FSO3 · H2O based on a novel donor DOET (DOET is (1,4-dioxane-2,3-diyldithio)ethylenedithiotetrathiafulvalene) was synthesized and structurally characterized. Single crystals were prepared by electrochemical oxidation of DOET in the d.c. mode. The salt has a layered structure with the DOET1/2+ radical cation layers parallel to the ab plane. The FSO 3 − anion is equiprobably disordered over two positions relative to the center of symmetry (1/2, 0, 0). The temperature behavior of conductivity is characteristic of metals in the temperature range from 293 down to 96 K; below 96 K, an increase in resistance is observed.

  DOI：

  10.1007/s11172-006-0139-9

文献信息

• ——
  作者：O. A. D""yachenko

  DOI：10.1023/a:1023406832130

  日期：——

  The structures of organic metals (DOET)(4)[Hg2Cl6] (1) and (DOET)(4)[Hg2Br6] (2), where DOET is (1,4-dioxanediyl-2,3-dithio)ethylenedithiotetrathiafulvalene, were established by X-ray diffraction analysis. Compounds 1 and 2 are isostructural, and their crystals have layered structures. The conducting layers formed by the stacked DOET1/2+ cations alternate with the layers of the [Hg2X6](2-) anions (X = Cl, Br). The temperature dependence of the conductivity of salt 1 shows a metallic character in the range of 300-4 K. Compound 2 undergoes the metal-semiconductor phase transition (TM-1) at 100 K.
• Crystal structure of radical-cation salt β-(DOET)4CuBr4·PhCl
  作者：A. A. Bardin、A. I. Kotov

  DOI：10.1134/s0036023606120084

  日期：2006.12

  A new radical-cation salt beta-(DOET)(4)CuBr4 center dot PhCl(DOET = (1,4-dioxanediyl-2,3-dithio) ethylene-dithiotetrathiafulvalene) is synthesized by electrocrystallization in the dc mode (I = 0.12 mu A), and its structure is studied. In the structure of the salt, the DOET radical cations are packed in layers parallel to ab. The average charge on DOET is equal to +0.5. The dioxane rings and ethylene groups of DOET, the tetrahedral CuBr42 -anion, and the chlorobenzene molecules are each disordered over two positions with a 50% probability, and the chlorine atoms of chlorobenzene are disordered over four positions with a 25% probability. The salt has semiconducting properties (E-a = 55 meV).
• ——
  作者：V. V. Gritsenko、O. A. D'yachenko、A. I. Kotov、L. I. Buravov、M. Mizuno

  DOI：10.1023/a:1011339825620

  日期：——

  A new molecular semiconductor, (Doet)(2)ReO4 (Doet is (1,4-dioxanediyl-2,3-dithio)ethylene-dithiotetrahiafulvalene), is synthesized and examined by X-ray diffraction analysis. The crystal structure of (Doef)(2)ReO4 is Formed by [Doet](+1/2) layers with isle [ReO4](-) anions located between them. The Doet radical cations from the adjacent layers are linked by intermolecular hydrogen interactions of the (OH)-H-... type.