bis[hydridotris(4-bromo-1H-pyrazol-1-yl)borato]iron(II) | 200883-54-1

• 英文名称: bis[hydridotris(4-bromo-1H-pyrazol-1-yl)borato]iron(II)
• 英文别名: iron(II) bis(4-bromo-1H-pyrazol-1-yl)borate
• CAS: 200883-54-1
• 化学式: C₁₈H₁₄B₂Br₆FeN₁₂
• 分子量: 955.283
• InChiKey: YKKLNGXCQZRMOZ-UHFFFAOYSA-N

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：
  None

反应信息

• 作为产物：
  描述：

  potassium hydridotris(4-bromo-1H-pyrazol-1-yl)borate 、 iron(II) sulfate 以 水 为溶剂， 以86%的产率得到bis[hydridotris(4-bromo-1H-pyrazol-1-yl)borato]iron(II)
  参考文献：
  名称：

  Lobbia, Giancarlo Gioia; Bovio, Bruna; Santini, Carlo, Polyhedron, 1998, vol. 17, p. 17 - 26

  摘要：

  DOI：

文献信息

• The effect of the 3-trifluoromethyl substituent in polypyrazolylborato complexes on the iron(II) spin state; X-ray diffraction and absorption and Mössbauer studies
  作者：P Cecchi、M Berrettoni、M Giorgetti、G Gioia Lobbia、S Calogero、L Stievano

  DOI：10.1016/s0020-1693(01)00399-1

  日期：2001.6

  A series of bis(polypyrazolylborato)iron(II) complexes (with Tp(3CF3), Tp(4Me), Tp(4Br), and pzTp(4Me)) has been prepared and characterised by Fe-57 Mossbauer spectroscopy. In addition, the Tp(3CF3) has been studied and compared with Tp(3CH3) by X-ray absorption investigation. The X-ray crystal structure of iron(II)bis(3-trifluoromethyl-1H-pyrazol-1-yl)borato has been resolved. In Fe(Tp(3CF3))(2) the coordination geometry around the Fe centre is distorted octahedral, with the Fe-N bond distances in the range 2.219(3)-2.251(3) Angstrom that are slightly longer than typical distances for high-spin iron(II) complexes. A close comparison of the Tp(3CF3) and Tp(3CH3) has revealed small but nonetheless significant differences as evidenced from low-temperature Mossbauer studies and from X-ray absorption near-edge structure approach. At variance with Fe(Tp(3CHF3))(2), the high spin state for Fe(Tp(3CF3))(2) is to be taken as the most stable one. (C) 2001 Elsevier Science B.V. All rights reserved.