tetrabutylammonium bis(1,3-dithiol-4,5-dithiolato)niccolate(III) | 167416-54-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tetrabutylammonium bis(1,3-dithiol-4,5-dithiolato)niccolate(III)
• 英文别名: 1,3-dithiole-4,5-dithiolate;nickel(3+);tetrabutylazanium
• CAS: 167416-54-8
• 化学式: C₆H₄NiS₈*C₁₆H₃₆N
• 分子量: 633.784
• InChiKey: NMTOCZQKNURTTA-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  8.29
• 重原子数：
  32.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  tetrabutylammonium bis(1,3-dithiol-4,5-dithiolato)niccolate(III) 在 TCNQ 作用下， 以 苯甲腈 、 乙腈 为溶剂， 以95%的产率得到
  参考文献：
  名称：

  Veldhuizen, Yvonne S. J.; Veldman, Nora; Spek, Anthony L., Journal of the Chemical Society, Dalton Transactions, 1998, # 18, p. 2989 - 2993

  摘要：

  DOI：
• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 四丁基溴化铵 、 4,5-甲二硫基-1,3-二硫醇-2-酮 在 NaOMe 作用下， 以 甲醇 为溶剂， 以85%的产率得到tetrabutylammonium bis(1,3-dithiol-4,5-dithiolato)niccolate(III)
  参考文献：
  名称：

  Veldhuizen, Yvonne S. J.; Veldman, Nora; Spek, Anthony L., Journal of the Chemical Society, Dalton Transactions, 1998, # 18, p. 2989 - 2993

  摘要：

  DOI：

文献信息

• Abramov; Petrov, Russian Journal of General Chemistry, 1996, vol. 66, # 10, p. 1635 - 1640
  作者：Abramov、Petrov

  DOI：——

  日期：——
• Chromium Acetylide Complex Based Ferrimagnet and Weak Ferromagnet
  作者：Junichi Nishijo、Ken Judai、Shigenori Numao、Nobuyuki Nishi

  DOI：10.1021/ic901295d

  日期：2009.10.5

  The crystal structures and magnetic properties of new molecule-based magnets, [CrCyclam(C C-3-thiophene)(2)][Ni(mdt)(2)] (1) and [CrCyclam(C C-Ph)(2)][Ni(mdt)(2)](H2O) (2) (Cyclam = 1,4,8,11-tetraazacyclotetradecane, mdt = 1,3-dithiole-4,5-dithiolate), are reported. The crystal structures of both compounds are characterized by ferrimagnetic chains of alternately stacked [CrCyclam(C C-R)](+) cations and [Ni(mdt)(2)](-) anions with intrachain exchange interactions of 2J = -6.1 K in 1 and -5.7 K in 2 (H = -2J Sigma S-i(i)center dot Si+1). The material 1 exhibits ferrimagnetic transition at 2.3 K owing to weak interchain antiferromagnetic interactions between cations and anions. In the case of 2, cations in adjacent ferrimagnetic chains are bridged by a water molecule, resulting in an interchain antiferromagnetic coupling. Despite a centrosymmetry of a whole crystal of 2, one bridging water molecule occupies only one of the two centrosymmetric sites and breaks a local centrosymmetry between adjacent cations. The interchain antiferromagnetic interaction and Dzyaloshinsky-Moriya interaction originated from the local symmetry breakdown of 2 bring a weak-ferromagnetic transition at 3.7 K with a coercive force of less than 0.8 mT, followed by the second magnetic phase transition at 2.9 K. Below this temperature, the coercive force rapidly increases from 1 to 11.8 mT as the temperature decreases from 2.9 to 1.8 K, while the remanent magnetization monotonically increases from 0.008 mu(B) at 3.6 K to 0.12 mu(B) at 1.8 K.