4',5'-diaza-9'-(4,5-ethylenedithio-1,3-dithiole-2-ylidene)-fluorene | 184360-20-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 4',5'-diaza-9'-(4,5-ethylenedithio-1,3-dithiole-2-ylidene)-fluorene
• 英文别名: 4',5'-diaza-9'-(4,5-ethylenethio-1,3-dithiole-2-ylidene)fluorene；8-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• CAS: 184360-20-1
• 化学式: C₁₆H₁₀N₂S₄
• 分子量: 358.533
• InChiKey: FQUDMQSZVBWSAX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  127
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4',5'-diaza-9'-(4,5-ethylenedithio-1,3-dithiole-2-ylidene)-fluorene 在 methanate sodium 作用下， 以 甲醇 、 氯仿 为溶剂， 生成 (dmit)(4',5'-diaza-9'-(4,5-ethylenedithio-1,3-dithiole-2-ylidene)-fluorene)palladium(II)
  参考文献：
  名称：

  ‘Unsymmetric’ palladium(II) complexes with ligand 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiole-2-ylidene)-fluorene

  摘要：

  Four 'unsyminetric' complexes of palladium(II), [Pd(L)Cl-2] and [Pd(L)(dmit)], have been synthesized and characterized [L = 4', 5'-diaza-9'-(4.5-bis(methylthio)-1,3-dithiole-2-ylidene)-fluorene (L-1) and 4',5'-diaza-9'-(4,5-ethylenedithio-1,3-dithiole-2-ylidene)-fluorene (L-2)]. Single crystal Structure of [Pd(L-1)Cl-2] was determined, in which, the atoms of the molecule, except two methyl-groups, are conjugated in a quasi-plane. The planar molecules are further stacked forming two unequivalent columns with C...C, S...C and S...Cl contacts. The differences between dichloro complexes and dmit complexes in IR, UV and oxidation properties were discussed in detail. The dmit complexes exhibit LLCT hand from dmit (donor) to pi* of L-1 (acceptor). (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00176-2

文献信息

• SYNTHESIS AND CHARACTERIZATION OF COPPER(I) COMPLEXES WITH 4′,5′-DIAZA-9′-(4,5-DIAZA-9′-(4,5-DISUBSTITUTED-1,3-DITHIOL-2-YLIDENE)FLOURENES
  作者：Qin-Yu Zhu、Jie Dai、Guo-Qing Bian、Xin Wang、Wei Yang、Ze-Min Yan

  DOI：10.1081/sim-120005617

  日期：2002.11.7

  Two sets of copper(I) halide complexes with the new type of ligands,4',5'-diaza-9'-(4,5-ethylenethio 1,3-dithiole-2-ylidene)-fluorene (L-1) and 4,5-diaza-9-(4,5-dimethylthio-1,3-dithiole2-ylidene)fluorene (L-2), were prepared, [Cu(L-1)X] (X=Cl, Br, I) and [Cu(L-2)(n)X] (X = Cl, Br, n = 1; X = I; n = 0.5). The insoluble coordination polymers were characterized on the basis of the data obtained from elemental analyses, atomic absorption, IR, UV-Visible and fluorescence spectra. The conductivity of the iodine-doped complexes was also studied at room temperature (10(-6)-10(-8) S cm(-1)). Ligand-centered oxidation is considered to be the reason of the conductivity.