tetra-n-butylammonium bis(pirazine-2,3-diselenolate)cuprate(III) | 865879-72-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: tetra-n-butylammonium bis(pirazine-2,3-diselenolate)cuprate(III)
• 英文别名: Bu4N[Cu(pyrazine-2,3-diselonate)2]
• CAS: 865879-72-7
• 化学式: C₈H₄CuN₄Se₄*C₁₆H₃₆N
• 分子量: 778.001
• InChiKey: ONSFUVHQJCMJID-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  1.13
• 重原子数：
  34.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  51.56
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  bis(N-(8-quinolinyl)salicylaldiminate)iron(III) chloride sesquihydrate 、 tetra-n-butylammonium bis(pirazine-2,3-diselenolate)cuprate(III) 以 乙腈 为溶剂， 生成 bis(N-(8-quinolyl)salicylaldiminato)iron(III) bis(pirazine-2,3-diselenolate)cuprate(III)
  参考文献：
  名称：

  Synthesis and characterization of [Fe(III)(qsal)2][M(III)(pds)2] (M=Cu, Au)

  摘要：

  Salts of the Fe(Ill) spin crossover cation [Fe-III(qsal)(2)](+) (qsalH=N-(8-quinolyl)salicylaldimine) and monoanions [M-III(pdS)(2)](M = Cu, Au; pds = pirazine-2,3-diselenolate) with formula [Fe-III(qsal)(2)][M-III(pdS)(2)] were prepared and characterized by single crystal X-ray diffraction and magnetic measurements. These two salts present magnetic properties essentially due to the Fe-III centres in the high-spin state (S = 5/2), and do not have any spin transition. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.02.004

文献信息

• Synthesis, structure and magnetic characterization of [Fe(bpp)2][Cu(pds)2]2·solv (solv=CH3CN and CH3OH)
  作者：Eugenio Coronado、Joao C. Dias、M. Carmen Giménez-López、Carlos Giménez-Saiz、Carlos J. Gómez-García

  DOI：10.1016/j.molstruc.2008.04.046

  日期：2008.11

  A novel salt of the Fe(II) cation [Fe(bpp)(2)](2+) ( bpp = 2,6-bis(pyrazol-3-yl)pyridine) with the [Cu-III(pds)(2)](-) anion (pds = pirazine-2,3-diselenolate) formulated as [Fe(bpp)(2)][Cu(pds)(2)](2) center dot 3CH(3)CN has been prepared and characterized by single crystal X-ray diffraction and magnetic measurements. The salt presents a layered structure where cations and anions alternate along the b direction with many intermolecular short contacts between the cations and anions. The magnetic properties show that the Fe(II) cations [Fe(bpP)(2)](2+) present a high-spin S = 2 ground spin state with g = 2.073(1) and a zero field splitting (ZFS) of 7.7(1) cm(-1) but no the expected spin transition at low temperatures. (c) 2008 Elsevier B.V. All rights reserved.