[Ni(II)(o-phenanthroline)(diisobutyldithiophosphinate)2] | 583027-10-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: [Ni(II)(o-phenanthroline)(diisobutyldithiophosphinate)2]
• 英文别名: Ni(iso-Bu2PS2)2(1,10-phenanthroline)；bis(2-methylpropyl)-sulfanylidene-sulfido-λ5-phosphane;nickel(2+);1,10-phenanthroline
• CAS: 583027-10-5
• 化学式: C₂₈H₄₄N₂NiP₂S₄
• 分子量: 657.572
• InChiKey: AXCKRFDOLGSSSY-UHFFFAOYSA-L

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：

  1,10-菲罗啉 、 Ni(II)(diisobutyldithiophosphinate)2 以 乙醇 、 氯仿 为溶剂， 以61%的产率得到[Ni(II)(o-phenanthroline)(diisobutyldithiophosphinate)2]
  参考文献：
  名称：

  摘要：

  Paramagnetic compounds [Ni(Phen)(i-Bu2PS2)(2)] (I), [Ni(Phen)(2)(i-Bu2PS2)](i-Bu2PS2) (II), and [Ni(Phen)(3)](i-Bu2PS2)(2) (III) (mu(eff) = 3.03-3.14 mu(B)) were synthesized by reacting Ni(i-Bu2PS2)(2) chelate with Phen. Their single crystals were grown. X-ray diffraction analysis of 11 was performed (CAD4 diffractometer, MoKalpha radiation, 1181 F-hkl, R = 0.0378). The crystals are monoclinic: a = 14.039(2) Angstrom, b = 18.030(2) Angstrom, c = 18.118(2) Angstrom; beta = 105.52(1)degrees, V = 4418.9(9) A(3), Z = 4, rho(calcd) = 1.259 g/cm(3), space group P2(1)/c. The structure is built of individual [Ni(Phen)(2)(i-Bu2PS2)](+) cations and i-BuPS2- anions. The coordination polyhedron of NiN4S2 is a distorted octahedron with four N atoms of two bidentate chelate ligands (Phen molecules) and with two S atoms of a bidentate cyclic ligand i-Bu2PS2-. The electronic spectroscopy data for molecular complex I and ionic complex III suggest the octahedral structure of the NiN2S4 and NiN6 chromophores, respectively.

  DOI：

  10.1023/a:1023356522406