2-diphenylphosphanylethyl(diphenyl)phosphane;nickel(2+);(Z)-1-pyridin-1-ium-3-ylethene-1,2-dithiolate;tetrafluoroborate | 194282-38-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-diphenylphosphanylethyl(diphenyl)phosphane;nickel(2+);(Z)-1-pyridin-1-ium-3-ylethene-1,2-dithiolate;tetrafluoroborate
• CAS: 194282-38-7
• 化学式: BF₄*C₃₃H₃₀NNiP₂S₂
• 分子量: 712.182
• InChiKey: CMGQVZJGCAQNFV-NOTWYVFUSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  3-(2-溴乙酰基)吡啶 、 (1,2-bis(diphenylphosphino)ethane)Ni(SH)2 在 Et₃N 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-diphenylphosphanylethyl(diphenyl)phosphane;nickel(2+);(Z)-1-pyridin-1-ium-3-ylethene-1,2-dithiolate;tetrafluoroborate
  参考文献：
  名称：

  Synthesis and Properties of Heterocyclic Substituted 1,2-Enedithiolates of Nickel, Palladium, and Platinum

  摘要：

  A convenient new synthetic route to metallo-1,2-enedithiolates was applied to the synthesis of (dppe)M{S2C2-(heterocycle)(H)}; dppe 1,2-bis(diphenyldiphosphino)ethane, hi Ni, Pd, and Pt, and heterocycle = 2-quinoxaline, 2-, 3-, and 4-pyridine, and 2-pyrazine. These complexes were prepared from the corresponding bis(hydrosulfido) complexes (dppe)M(SH)(2) and the alpha-bromo ketones, heterocycle-C(O)CH2Br. Zn the solid state, (dppe)Ni{S2C2(2-pyrazine)(H)} is a slightly distorted square plane with a planar five-membered metallo-1,2-enedithiolate ring. The metallo-l,2-dithiolate is approximate to 6 degrees from being coplanar with the pyrazine ring, These complexes all have a UV-visible band assignable to an intraligand transition (ILCT) that is best described as a 1,2-enedithiolate pi-->heterocycle pi* charge transfer transition. The energy of the ILCT transition tracks with the reduction potential of the appended aromatic heterocycle. The pK(a) of the protonated complexes is 1-3 units higher than that of the parent heterocycle, independent of the metal, and consistent with resonance stabilization of the protonated heterocycle by the 1,2-enedithiolate ligand.

  DOI：

  10.1021/ic970194s