4,5:4',5'-bis(propylene-1,3-diseleno)tetrathiafulvalene | 111351-57-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二噻烷
• 英文名称: 4,5:4',5'-bis(propylene-1,3-diseleno)tetrathiafulvalene
• 英文别名: 2-(6,7-dihydro-5H-[1,4]diselenepino[2,3-d][1,3]dithiol-2-ylidene)-6,7-dihydro-5H-[1,4]diselenepino[2,3-d][1,3]dithiole
• CAS: 111351-57-6
• 化学式: C₁₂H₁₂S₄Se₄
• 分子量: 600.331
• InChiKey: CHWUDMAGJNMVEH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4,5-(propylene-1,3-diseleno)-1,3-dithiol-2-one 在 亚磷酸三乙酯 作用下， 反应 0.58h， 以46%的产率得到4,5:4',5'-bis(propylene-1,3-diseleno)tetrathiafulvalene
  参考文献：
  名称：

  Synthesis of 4,5:4',5'-bis(propylene-1,3-diseleno)tetrathiafulvalene

  摘要：

  DOI：

  10.1021/jo00236a044

文献信息

• Structural study and electrical conductivity of salts based on functionalized TTF containing peripheral selenium atoms
  作者：Lakhemici Kaboub、Jean-Pierre Legros、Bruno Donnadieu、Abdel-Krim Gouasmia、Louiza Boudiba、Jean-Marc Fabre

  DOI：10.1039/b308514g

  日期：——

  Five new substituted tetrathiafulvalene derivatives containing the acetoxyphenyl group as a side-chain have been synthesized using a Wittig-type condensation. Four of them contain peripheral selenium atoms. From cyclic voltammetry data, the electron donor abilities of the obtained compounds have been found to be similar to that of BEDT-TTF. The crystal structures of three of these new donors have been determined. A series of radical cation salts derived from these donors has been obtained by electrocrystallization; the electrical conductivity of these phases measured on compressed powder pellets range from 5 x 10(-4) to 4 x 10(-5) S cm(-1). Charge transfer complexes have also been chemically prepared by using TCNQ as an electron acceptor; the electrical conductivity of their compressed powders range from 0.3 to 0.5 S cm(-1). The crystal structure of one of these charge transfer complexes has been determined and shows that the donor and the acceptor entities form regular segregated stacks; its rather high conductivity, actually measured on powder, is in agreement with this structural feature.
• NIGREY, P. J.;MOROSIN, B.;DUESLER, E., SYNTH. MET., 27,(1988) N-4, C. B481-B486
  作者：NIGREY, P. J.、MOROSIN, B.、DUESLER, E.

  DOI：——

  日期：——
• NIGREY, PAUL J., J. ORG. CHEM., 53,(1988) N 1, 201-203
  作者：NIGREY, PAUL J.

  DOI：——

  日期：——