[(N,N,N',N'-tetramethylethylenediamine)Cu(acetonitrile)][SbF6] | 868666-71-1

• 英文名称: [(N,N,N',N'-tetramethylethylenediamine)Cu(acetonitrile)][SbF6]
• 英文别名: [(TMEDA)Cu(acetonitrile)][SbF6]
• CAS: 868666-71-1
• 化学式: C₈H₁₉CuN₃*F₆Sb
• 分子量: 456.545
• InChiKey: ISUKMAOGPPVKKR-UHFFFAOYSA-H

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：

  1,2,3,4,5,6,7,8-八硫杂环辛烷 、 [(N,N,N',N'-tetramethylethylenediamine)Cu(acetonitrile)][SbF6] 以 二氯甲烷 为溶剂， 以66%的产率得到[Cu3(μ3-S)2(N,N,N',N'-tetramethylethylenediamine)3][SbF6]3
  参考文献：
  名称：

  [Cu₃(μ-S)₂]³⁺ Clusters Supported by N-Donor Ligands:  Progress Toward a Synthetic Model of the Catalytic Site of Nitrous Oxide Reductase

  摘要：

  By treating Cu(I) complexes of neutral, bidentate N-donor ligands with S8, clusters with novel delocalized mixed-valence [Cu3(mu-S)2]3+ cores have been isolated. X-ray crystal structures and UV-vis and resonance Raman spectral features of these clusters reveal similarities to the tetracopper-sulfide "CuZ" site in nitrous oxide reductase. A delocalized S = 1 ground state for the mixed-valent CuIIICu2II cores is supported by the observation of high symmetry in the X-ray structures and 10-line hyperfine features arising from coupling to three equivalent Cu ions in EPR spectra obtained at room temperature (shown) and 10 K. The delocalization we observe contrasts with the localization reported previously for a [Cu3(mu-O)2]3+ analogue (Root, D. E.; Henson, M. J.; Machonkin, T.; Mukherjee, P.; Stack, T. D. P.; Solomon, E. I. J. Am. Chem. Soc. 1998, 120, 4982), which we rationalized through DFT calculations.

  DOI：

  10.1021/ja053971t