[1-(4-nitrobenzyl)pyridinium][Cu(maleonitriledithiolate)2] | 1176996-02-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [1-(4-nitrobenzyl)pyridinium][Cu(maleonitriledithiolate)2]
• CAS: 1176996-02-3
• 化学式: C₈CuN₄S₄*C₁₂H₁₁N₂O₂
• 分子量: 559.156
• InChiKey: VGZSDYHNQIUHIN-QDMRRLORSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  2.61
• 重原子数：
  33.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  142.18
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  [1-(4'-nitrobenzyl)pyridinium] [bis-maleonitriledithiolate nickel(III)] 、 [1-(4-nitrobenzyl)pyridinium][Cu(maleonitriledithiolate)2] 生成 [1-(4-nitrobenzyl)pyridinium][Cu0.12Ni0.88(maleonitriledithiolate)2]
  参考文献：
  名称：

  Doping effect of nonmagnetic impurity on the spin-Peierls-like transition in the quasi-one-dimensional (quasi-1D) spin system of 1-(4′-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate

  摘要：

  A nonmagnetic compound, [NO(2)BzPy][Cu(mnt)(2)] (mnt(2-) = maleonitriledithiolate; NO(2)BzPy(+)=1-(4'-nitrobenzyl)pyridinium), is isostructural with [NO(2)BzPy][Ni(mnt)(2)], which is a quasi-1D spin system and exhibits a spin-Peierls-like transition with J = 192 K in the gapless state and spin energy gap = 738 K in the dimerization state, respectively. Further, five nonmagnetic impurity doped compounds [NO(2)BzPy][Cu(x)Ni(1-x)(mnt)(2)] (x = 0.04-0.74) were prepared, and their crystal structures as well as magnetic properties were investigated. The nonmagnetic doping causes the suppression of the spin transition with an average rate of 139(13) K/percentage of dopant concentration, and the transition collapse is estimated at around x > 0.5. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.02.008
• 作为产物：
  描述：

  1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)cuprate(II) 在 I₂ 作用下， 以 not given 为溶剂， 以72%的产率得到[1-(4-nitrobenzyl)pyridinium][Cu(maleonitriledithiolate)2]
  参考文献：
  名称：

  Doping effect of nonmagnetic impurity on the spin-Peierls-like transition in the quasi-one-dimensional (quasi-1D) spin system of 1-(4′-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate

  摘要：

  A nonmagnetic compound, [NO(2)BzPy][Cu(mnt)(2)] (mnt(2-) = maleonitriledithiolate; NO(2)BzPy(+)=1-(4'-nitrobenzyl)pyridinium), is isostructural with [NO(2)BzPy][Ni(mnt)(2)], which is a quasi-1D spin system and exhibits a spin-Peierls-like transition with J = 192 K in the gapless state and spin energy gap = 738 K in the dimerization state, respectively. Further, five nonmagnetic impurity doped compounds [NO(2)BzPy][Cu(x)Ni(1-x)(mnt)(2)] (x = 0.04-0.74) were prepared, and their crystal structures as well as magnetic properties were investigated. The nonmagnetic doping causes the suppression of the spin transition with an average rate of 139(13) K/percentage of dopant concentration, and the transition collapse is estimated at around x > 0.5. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.02.008