[Co(naptfc)2(H2O)2] | 944797-99-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: [Co(naptfc)2(H2O)2]
• 英文别名: [Co(4,4,4-trifluoro-1-(2-naphthyl)-1,3-butanedione(-H))2(H2O)2]
• CAS: 944797-99-3
• 化学式: C₂₈H₂₀CoF₆O₆
• 分子量: 625.447
• InChiKey: PZSQDXNDFLAZIA-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：
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反应信息

• 作为反应物：
  描述：

  [Co(naptfc)2(H2O)2] 、 2-(2-pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazolyl-1-oxy 以 正庚烷 为溶剂， 以60%的产率得到[Co(naptfc)2(IM2py)]
  参考文献：
  名称：

  Synthesis and magneto-optical properties of a series of bis(β-diketonato) Co(II) complexes with imino nitroxide radical chelate

  摘要：

  A series of bis(4,4,4-trifluoro-1-R-1,3-butanedinato) Co(II) complexes with imino nitroxide radical(IM2py), [Co(RtfC)(2)(IM(2)py)] (R = trifluoromethyl, phenyl, naphthyl, thienyl), was prepared and characterized by the X-ray analysis which demonstrated the stereo-specific formation of the trans(CF3)-isomer with the trans disposition of the CF3 groups. The significant substituents effect on the UV-Vis spectra and magnetic properties were discussed in consideration of the inversion of the d pi(t(2g)) orbital levels leading to the orbital orthogonality or overlap with the SOMO pi* of IM2py in terms of the AOM parametrizations or spin-paring energy. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.09.054