(2,2'-bipyridine)bis(diisobutyldithiophosphinato)nickel(II) | 364730-93-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 杂芳族化合物
• 英文名称: (2,2'-bipyridine)bis(diisobutyldithiophosphinato)nickel(II)
• 英文别名: Ni(iso-Bu2PS2)2(2,2'-bipyridine)；bis(2-methylpropyl)-sulfanylidene-sulfido-λ5-phosphane;nickel(2+);2-pyridin-2-ylpyridine
• CAS: 364730-93-8
• 化学式: C₂₆H₄₄N₂NiP₂S₄
• 分子量: 633.55
• InChiKey: INLNDXPPLGFSDA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.62
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  92
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 bis(diisobutyldithiophosphinato)nickel(II) 以 乙醇 为溶剂， 以79%的产率得到(2,2'-bipyridine)bis(diisobutyldithiophosphinato)nickel(II)
  参考文献：
  名称：

  摘要：

  Diamagnetic [Ni(i-Bu2PS2)(2)] compound (I) in ethanol reacts with 2,2 ' -bipyridine or pyrazine to give the paramagnetic complexes [Ni(2,2 ' -Bipy)(i-Bu2PS2)(2)] (II), [Ni(Pz)(2)(i-Bu2PS2)(2)] (III), and [Ni(Pz)(i-Bu2PS2)(2)](n) (IV) (mu (eff) = 2.91-3.12 mu (B)). Single crystals of II were grown for X-ray diffraction study. The crystals are monoclinic, a = 14.669(3) Angstrom, b = 19.693(4) Angstrom, c = 12.155(2) Angstrom, beta = 107.51(3)degrees, V= 3348(1) Angstrom (3), Z = 4; rho (calcd) = 1.257 g/cm(3), space group P2(1)/c. The structure is built from monomeric molecules. The coordination polyhedron of the Ni atom is a distorted octahedron formed by four S atoms of two bidentate chelating i-BU2PS2- ligands and by two N atoms of bidentate cyclic 2,2 ' -Bipy. Preliminary data for complexes III and IV indicate that they also contain an octahedral NiN2S4 fragment. The structures of complexes I (square planar) and of II-IV (octahedral) were confirmed by data from electron spectroscopy. Electronic absorption spectra were used to determine the rankings of the i-Bu2PS2- ions and Pz on a spectrochemical scale.

  DOI：

  10.1023/a:1011341716651