bis(phenylthiolato-S)bis(tri-n-butylphosphine-P)nickel(II) | 24510-67-6

• 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: bis(phenylthiolato-S)bis(tri-n-butylphosphine-P)nickel(II)
• 英文别名: trans-[Ni(SPh)2(PBu3)2]；benzenethiolate;nickel(2+);tributylphosphane
• CAS: 24510-67-6；168751-76-6
• 化学式: C₃₆H₆₄NiP₂S₂
• 分子量: 681.674
• InChiKey: QBCBFVQGVQRLEQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  12.92
• 重原子数：
  41
• 可旋转键数：
  20
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  2
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  bis(1,5-cyclooctadiene)nickel (0) 、 三丁基膦 、 二苯二硫醚 以 甲苯 为溶剂， 以60%的产率得到bis(phenylthiolato-S)bis(tri-n-butylphosphine-P)nickel(II)
  参考文献：
  名称：

  Ni(acac)₂/Phosphine as an Excellent Precursor of Nickel(0) for Catalytic Systems

  摘要：

  The coordination of phosphine ligands to nickel acetylacetonate was studied in toluene solution, and the first X-ray structure of the unstable complex trans-[Ni(acac)(2)(PMe2Ph)(2)] has been reported. A convenient procedure was developed to generate Ni(0) species in situ in solution from a Ni(acac)(2) precursor, and their application in catalysis was demonstrated. A study of the reaction mechanism has suggested that water may play an important role in the formation of zerovalent nickel species. The nature of the Ni(0) species was confirmed by trapping with Ph2S2, and the structure of the resulting complexes trans-[Ni(SPh)(2)L-2] was established by X-ray analysis for L = PMe2Ph, PMePh2, PBu3.

  DOI：

  10.1021/om1003732

文献信息

• Bis(phenylthiolato-S)bis(tri-n-butylphosphine-P)nickel(II), [Ni(SPh)2(PnBu3)2]
  作者：R. Cao、F. Jiang、M. Hong、H. Li、H. Liu

  DOI：10.1107/s0108270194014940

  日期：1995.8.15

  The title compound, [Ni(C6H5S)(2)(C12H27P)(2)], was isolated from the reaction of NiCl2.6H(2)O, NaSPh and P(n)Bu(3) in MeOH. The molecule possesses a crystallographic inversion center at the Ni atom which is fourfold coordinated by two P and two S atoms with almost square-planar geometry. The Ni-S and Ni-P distances are 2.217 (2) and 2.245 (2) Angstrom, respectively.