9'-[4,5-bis(cyanoethylthio)-1,3-dithiol-2-ylidene]-4',5'-diazafluorene | 903501-85-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 9'-[4,5-bis(cyanoethylthio)-1,3-dithiol-2-ylidene]-4',5'-diazafluorene
• 英文别名: 4,5-diaza-9-[4,5-bis(2-cyanoethylsulfanyl)-1,3-dithiol-2-ylidene]fluorene；BTL；4,5-Diaza-9-(4,5-di(cyanoethylthio)-1,3-dithiol-2-ylidene)-fluorene；3-[[5-(2-cyanoethylsulfanyl)-2-(3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-ylidene)-1,3-dithiol-4-yl]sulfanyl]propanenitrile
• CAS: 903501-85-9
• 化学式: C₂₀H₁₄N₄S₄
• 分子量: 438.622
• InChiKey: IYQZCLZPFUJLJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  175
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  bis[2-(2,4-difluorophenyl)pyridinato-N,C6']iridium(III) chloride dimer 、 9'-[4,5-bis(cyanoethylthio)-1,3-dithiol-2-ylidene]-4',5'-diazafluorene 以50%的产率得到[Ir(2-(2,4-difluorophenyl)pyridine)2(4,5-diaza-9-[4,5-bis(2-cyanoethylsulfanyl)-1,3-dithiol-2-ylidene]fluorene)](1+)
  参考文献：
  名称：

  Dithiolate-Appended Iridium(III) Complex with Dual Functions of Reducing and Capping Agent for the Design of Small-Sized Gold Nanoparticles

  摘要：

  The unprecedented combined reduction of chloroauric acid and capping of the resulting gold nanoparticles in the absence of an external reducing agent are demonstrated using a novel heteroleptic Ir(III) complex incorporating a 4,5-diazafluorenedithiolate ligand. The reduction process in basic medium results from a cascade mechanism involving oxidation of the ligand, reduction of the gold salt, and stabilization and functionalization of the gold nanoparticles.

  DOI：

  10.1021/ja111384m

文献信息

• High-Extinction Ruthenium Compounds for Sunlight Harvesting and Hole Transport
  作者：Aaron Staniszewski、William B. Heuer、Gerald J. Meyer

  DOI：10.1021/ic800171h

  日期：2008.8.1

  Ru(deeb) 2(BTL)(PF 6) 2, where bpy is 2,2'-bipyridine, deeb is 4,4'-(C 2H 5CO 2) 2-bpy, and BTL is 9'-[4,5-bis(cyanoethylthio)]-1,3-dithiol-2-ylidene]-4',5'-diazafluorene, were found to have very high extinction coefficients in the visible region. In an acetonitrile solution, the extinction of Ru(deeb) 2(BTL)(PF 6) 2 was = 44 000 +/- 1000 M (-1) cm (-1) at lambda = 470 nm. Two quasi-reversible oxidation

  化合物Ru（bpy）2（BTL）（PF 6）2和Ru（deeb）2（BTL）（PF 6）2，其中bpy是2,2'-联吡啶，deeb是4,4'-（C 2H发现5CO 2）2-bpy和BTL为9'-[4,5-双（氰基乙硫基）]-1,3-二硫醇-2-亚基] -4'，5'-重氮芴可见区域的系数。在乙腈溶液中，在λ= 470 nm时，Ru（deeb）2（BTL）（PF 6）2的消光= 44 000 +/- 1000 M（-1）cm（-1）。与二茂铁（Fc（+ / 0））相比，观察到两个准可逆的氧化波E 1/2 = +0.88和+1.16 V，以及不可逆的还原E pr = -1.6V。在-40℃下，观察到具有金属-配体电荷转移激发态的光谱特性的状态，tau ＝ 25ns。发现该化合物可以将电子以532的量子产率Phi = 0.3 +/- 0.2注入到TiO 2中。在0.1 M LiClO 4 /乙腈电解质中激发5或417
• Sequential Generation of One-Dimensional Networks Based on a Differentiated Bischelate-Type Ligand Bearing Both 4,5-Diazafluorene and Dithiolene Units
  作者：Stéphane A. Baudron、Mir Wais Hosseini

  DOI：10.1021/ic0603510

  日期：2006.7.1

  A novel dithiolene ligand appended with a 4,5-diazafluorene moiety has been synthesized and used for the preparation of discrete nickel and mercury complexes and a one-dimensional polymer in the presence of sodium cations.