[(1,1,1-tris(diphenylphosphinomethyl)ethane)Ni(η2-H4)] | 871482-05-2

• 英文名称: [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ni(η2-H4)]
• CAS: 871482-05-2
• 化学式: C₄₁H₄₃BNiP₃
• 分子量: 698.215
• InChiKey: DEWYTPSRLGOICS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1,1,1-三(二苯基膦甲基)乙烷 以 四氢呋喃 、 乙醇 为溶剂， 生成 [(1,1,1-tris(diphenylphosphinomethyl)ethane)Ni(η2-H4)]
  参考文献：
  名称：

  [(Triphos)Ni(η²-BH₄)]:  An Unusual Nickel(I) Borohydride Complex

  摘要：

  Reduction of [(triphos)NiCl2] (1) with an excess of NaBH4 in THF produces the paramagnetic Ni(I) complex [(triphos)Ni(eta(2)-BH4)] (2). X-ray crystallography shows 1 to be a square-planar Ni(II) species in which the phosphine ligand is bidentate, whereas 2 has pseudotetrahedral geometry at the Ni(I) center, with a tridentate phosphine and the borohydride ligand occupying a single coordination site. Density functional theory calculations show the unpaired electron in 2 to reside in an orbital located mainly on the Ni atom.

  DOI：

  10.1021/ic051541y