[4-BrC6H4C(H)NNMo(N[t-Bu]-3,5-C6H3Me2)3][AlCl4] | 1174750-90-3

• 英文名称: [4-BrC6H4C(H)NNMo(N[t-Bu]-3,5-C6H3Me2)3][AlCl4]
• CAS: 1174750-90-3
• 化学式: AlCl₄*C₄₃H₅₉BrMoN₅
• 分子量: 990.612
• InChiKey: JAUPBVWLPFTDDK-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

• 作为反应物：
  描述：

  双(环戊二烯)钴 、 [4-BrC6H4C(H)NNMo(N[t-Bu]-3,5-C6H3Me2)3][AlCl4] 以 氘代四氢呋喃 为溶剂， 生成 [Cp2Co][AlCl4] 、 μ-(4-BrC6H4C(H)NN)2[Mo(N[t-Bu]-3,5-C6H3Me2)3]2
  参考文献：
  名称：

  Synthesis and Reversible Reductive Coupling of Cationic, Dinitrogen-Derived Diazoalkane Complexes

  摘要：

  A series of cationic diazoalkane complexes [4-RC6H4C(H)NNMo(N[t-Bu]Ar)(3)][AlCl4], [1-R][AlCl4] (R = NMe2, Me, H, Br, CN; Ar = 3,5-C6H3Me2) has been prepared by treatment of the N-2-derived diazenido complex Me3SiNNMo(N[t-Bu]Ar)(3) with 4-RC6H4CHO and 2 equiv of AlCl3. The structures of [1-H][AlCl4] add [1-NMe2][AlCl4] were determined by X-ray crystallography. The C-N and N-N stretching modes were identified by a combined IR and Raman spectroscopy study, and other physical properties are discussed in detail. The electrochemical reduction potential for [1-R][AlCl4] was shown to be linear with the Hammett sigma parameter. This reduction process forms the C-C bonded dimer, mu-(4-RC6H4C(H)NN)(2)[Mo(N[t-Bu]Ar)(3)](2), that was characterized by X-ray crystallography for R = H. Possible mechanisms for the formation of this dimer are presented. Both electrochemical investigations and quantum chemical calculations are used to describe the odd-electron complex 4-RC6H4C(H)NNMo(N[t-Bu]Ar)(3), 1-R, that is an intermediate in the formation of [1-R](2). The C-C bond in [1-R](2) is redox-noninnocent and is broken upon oxidation. This reaction was used to prepare [1-H][A] (A = PF6-, OTf-), and possible uses of this property in charge-storage devices are discussed.

  DOI：

  10.1021/ic900495s
• 作为产物：
  描述：

  三氯化铝 、 (Me3SiN2)Mo(N[t-Bu](3,5-Me2C6H3)3 、 对溴苯甲醛 以 乙醚 、 正戊烷 为溶剂， 生成 [4-BrC6H4C(H)NNMo(N[t-Bu]-3,5-C6H3Me2)3][AlCl4]
  参考文献：
  名称：

  Synthesis and Reversible Reductive Coupling of Cationic, Dinitrogen-Derived Diazoalkane Complexes

  摘要：

  A series of cationic diazoalkane complexes [4-RC6H4C(H)NNMo(N[t-Bu]Ar)(3)][AlCl4], [1-R][AlCl4] (R = NMe2, Me, H, Br, CN; Ar = 3,5-C6H3Me2) has been prepared by treatment of the N-2-derived diazenido complex Me3SiNNMo(N[t-Bu]Ar)(3) with 4-RC6H4CHO and 2 equiv of AlCl3. The structures of [1-H][AlCl4] add [1-NMe2][AlCl4] were determined by X-ray crystallography. The C-N and N-N stretching modes were identified by a combined IR and Raman spectroscopy study, and other physical properties are discussed in detail. The electrochemical reduction potential for [1-R][AlCl4] was shown to be linear with the Hammett sigma parameter. This reduction process forms the C-C bonded dimer, mu-(4-RC6H4C(H)NN)(2)[Mo(N[t-Bu]Ar)(3)](2), that was characterized by X-ray crystallography for R = H. Possible mechanisms for the formation of this dimer are presented. Both electrochemical investigations and quantum chemical calculations are used to describe the odd-electron complex 4-RC6H4C(H)NNMo(N[t-Bu]Ar)(3), 1-R, that is an intermediate in the formation of [1-R](2). The C-C bond in [1-R](2) is redox-noninnocent and is broken upon oxidation. This reaction was used to prepare [1-H][A] (A = PF6-, OTf-), and possible uses of this property in charge-storage devices are discussed.

  DOI：

  10.1021/ic900495s