bis[1-(4-pyridin-4-yl)-1,2-ethylenedithiolato]nickel(III), tetrabutylammonium salt | 1159259-24-1

• 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: bis[1-(4-pyridin-4-yl)-1,2-ethylenedithiolato]nickel(III), tetrabutylammonium salt
• CAS: 1159259-24-1
• 化学式: C₁₄H₁₀N₂NiS₄*C₁₆H₃₆N
• 分子量: 635.669
• InChiKey: HJOFKXBSAYGKLP-JVQUTIBHSA-J

物化性质

• 熔点：
  133-134 °C(Solvent: Acetone)

计算性质

• 辛醇/水分配系数(LogP)：
  7.95
• 重原子数：
  38.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  25.78
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  nickel(II) chloride hexahydrate 、 四丁基溴化铵 、 4-(pyridin-4-yl)-1,3-dithiol-2-one 在 sodium methoxide 、 water 、 air 作用下， 以 甲醇 为溶剂， 以65%的产率得到bis[1-(4-pyridin-4-yl)-1,2-ethylenedithiolato]nickel(III), tetrabutylammonium salt
  参考文献：
  名称：

  Complexes based on asymmetrically substituted pyridine–dithiolene ligands [M(4-pedt)2] (M=Au, Cu, Ni; 4-pedt=1-(pyridin-4-yl)-ethylene-1,2-dithiolate): Synthesis, structure and physical properties

  摘要：

  The monoanionic Ni, Au and Cu bisdithiolene complexes based on the 1-(pyridin-4-yl)-ethylene-1,2-dithiolate were prepared and isolated as [PPh4](+), [n-Bu4N](+) and [Na(18C6)](+) salts which were characterised by single-crystal X-ray diffraction, cyclic voltammetry, EPR and magnetic susceptibility measurements. All the complexes adopt a square planar coordination geometry with a trans arrangement of the substituent pyridine rings whose planes are rotated from 13 degrees to 33 degrees relatively to the central MS4 core.The C-C and C-S bond lengths are consistent with ene-1,2-dithiolate form of the ligand and M-III oxidation state. The Ni complexes are paramagnetic with an effective magnetic moment of similar to 1.7 BM. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.01.015