[Re(IV)Cl4(4,7-diphenyl-1,10-phenanthroline)]*(chloroform) | 1269633-00-2

• 英文名称: [Re(IV)Cl4(4,7-diphenyl-1,10-phenanthroline)]*(chloroform)
• CAS: 1269633-00-2
• 化学式: CHCl₃*C₂₄H₁₆Cl₄N₂Re
• 分子量: 779.801
• InChiKey: RJOZPOAGHDVDLZ-UHFFFAOYSA-J

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：

  氯仿 、 [ReO(OMe)(4,7-diphenyl-1,10-phenanthroline)-Cl₂] 在 triphenylphosphine 作用下， 以 氯仿 、 丙酮 为溶剂， 以60%的产率得到[Re(IV)Cl4(4,7-diphenyl-1,10-phenanthroline)]*(chloroform)
  参考文献：
  名称：

  Two novel rhenium complexes derived from [ReO(OMe)Cl2(dpphen)] – Synthesis, crystal structure, spectroscopic and magnetic properties

  摘要：

  The reaction of [ReO(OMe)Cl-2(dpphen)] (dpphen = 4,7-diphenyl-1,10-phenanthroline) with triphenylphosphine has been examined and two novel rhenium complexes - [(ReCl3)-Cl-III(dpphen)(PPh3)center dot Me2CO (1) and [(ReCl4)-Cl-IV(dpphen)]center dot CHCl3 (2) - have been obtained. The compounds have been characterised by elemental analysis, IR. UV-Vis spectroscopy, magnetic measurements and X-ray crystallography. The electronic structures of [ReCl3(dpPhen)(PPh3)] and [ReCl4(dpphen)] have been studied by DFT/B3LYP level calculations, and TO-OFT calculations have been employed for discussion of the electronic spectra in more detail. The magnetic behaviour of 1 is characteristic of mononuclear complexes with d(4) low-spin octahedral Re(III) complexes (T-3(1g) ground state) and arise because of the large spin-orbit coupling (zeta = 2500 cm(-1)), which gives diamagnetic ground state. For complex 2 the results of calculations revealed value of zero-field splitting parameter D = 10.8 cm(-1), g(parallel to) = 2.49 and g(perpendicular to) = 1.51. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.10.025