tetraethylammonium cyanido(bis(2-mercaptophenyl)sulfide)nickel(II) | 1192264-41-7

• 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: tetraethylammonium cyanido(bis(2-mercaptophenyl)sulfide)nickel(II)
• CAS: 1192264-41-7
• 化学式: C₈H₂₀N*C₁₃H₈NNiS₃
• 分子量: 463.355
• InChiKey: SGRHSWDWSKTTTO-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

• 作为反应物：
  描述：

  tetraethylammonium cyanido(bis(2-mercaptophenyl)sulfide)nickel(II) 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 (hydrotris(3-tert-butylpyrazolyl)borate)Ni(II)NCNi(II)(bis(2-mercaptophenyl)sulfide)
  参考文献：
  名称：

  A series of cyanide-bridged binuclear complexes

  摘要：

  A series of cyanide-bridged binuclear complexes, ('S-3')Ni-CN-M[Tp(tBu)] ('S-3' = bis(2-mercaptophenyl) sulfide, Tp(tBu) = hydrotris(3-tert-butylpyrazolyl) borate, M = Fe (2-Fe), Co (2-Co), Ni (2-Ni), Zn (2-Zn)) was prepared by the coupling of K[('S-3')Ni(CN)] with [Tp(tBu)]MX. The isostructural series of complexes was structurally and spectroscopically characterized. A similar coupling strategy was used to synthesize the anionic copper(I) analogue, Et4N{('S-3')Ni-CN-Cu[Tp(tBu)]}, 2-Cu.An alternative synthesis was devised for the preparation of the linkage isomers of 2-Zn, i.e. of cyanide-bridged linkage isomers. X-ray diffraction, C-13 NMR and IR spectral studies established that isomerization to the more stable Ni-CN-Zn isomer occurs. DFT computational results buttressed the experimental observations indicating that the cyanide-bridged isomer is ca. 5 kcal/mol more stable than its linkage isomer. (C) 2009 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.05.042