[(N,N'-dimethyl-2,11-diaza[3.3](2,6)pyridinophane)VCl2](BPh4) | 176513-02-3

• 英文名称: [(N,N'-dimethyl-2,11-diaza[3.3](2,6)pyridinophane)VCl2](BPh4)
• CAS: 176513-02-3
• 化学式: C₁₆H₂₀Cl₂N₄V*C₂₄H₂₀B
• 分子量: 709.443
• InChiKey: UHBIYFFWZHTMQI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [(N,N'-dimethyl-2,11-diaza[3.3](2,6)pyridinophane)VCl2](BPh4) 在 air 作用下， 以 乙醇 、 水 、 乙腈 为溶剂， 生成 [(N,N'-dimethyl-2,11-diaza[3.3](2,6)pyridinophane)VClO](1+)
  参考文献：
  名称：

  Synthesis, Structures, and Spectroscopic Characterization of a Series of N,N‘-Dimethyl-2,11-diaza[3.3](2,6)pyridinophane Vanadium(III), -(IV), and -(V) Complexes

  摘要：

  Three vanadium-containing complexes, [(L-N(4)Me(2))VCl2](BPh(4)) (1), [(L-N(4)Me(2))VClO](ClO4) (2), and [(L-N(4)Me(2))VO2](BPh(4)) (3) where L-N(4)Me(2) is the tetradentate ligand N,N'-dimethyl-2,11-diaza[3.3](2,6)pyridinophane, have been prepared and characterized by X-ray diffraction and electrochemical methods as well as by IR, H-1-NMR, EPR, and electronic absorption spectroscopy. Complex 1 crystallizes in monoclinic space group P2(1)/n (No. 14) with a = 16.940(4) Angstrom, b = 9.902(3) Angstrom, c = 21.936(8) Angstrom, beta = 108.21(2)degrees, V = 3495(2) Angstrom(3), and Z = 4, complex 2 in orthorhombic space group P2(1)2(1)2(1) (NO. 19) with a = 10.163(2) Angstrom, b = 13.351(3) Angstrom, c = 14.762(3) Angstrom, V = 2003(1) Angstrom(3) and Z = 4, and complex 3 in monoclinic space group P2(1)/c (No. 14) with a = 14.349(3) Angstrom, b = 14.040(5) Angstrom, c = 18.131(10) Angstrom, beta = 110.62(3)degrees, V = 3419(2) Angstrom(3) and Z = 4. In all these complexes a distorted cis-octahedral coordination geometry is found with the cis coordination sites occupied either by terminal chloro and/or oxo ligands. Thus, a rather unique series of mononuclear complexes has been established where, for example, in reaction with air consecutive replacements of both chloride ions by oxo donors increases the oxidation state of the six-coordinate vanadium ion from III over IV to V while the residual coordination environment remains preserved. Interestingly, in each complex the electronic properties of the cis donor atom set stabilize only one specific oxidation state of the vanadium ion in order to warrant the isolation of the complex.

  DOI：

  10.1021/ic9510730
• 作为产物：
  描述：

  [VCl3(thf)3] 、 四苯硼钠 、 N,N′-dimethyl-2,11-diaza[3.3](2,6)pyridinophane 以 乙腈 为溶剂， 以38%的产率得到[(N,N'-dimethyl-2,11-diaza[3.3](2,6)pyridinophane)VCl2](BPh4)
  参考文献：
  名称：

  Synthesis, Structures, and Spectroscopic Characterization of a Series of N,N‘-Dimethyl-2,11-diaza[3.3](2,6)pyridinophane Vanadium(III), -(IV), and -(V) Complexes

  摘要：

  Three vanadium-containing complexes, [(L-N(4)Me(2))VCl2](BPh(4)) (1), [(L-N(4)Me(2))VClO](ClO4) (2), and [(L-N(4)Me(2))VO2](BPh(4)) (3) where L-N(4)Me(2) is the tetradentate ligand N,N'-dimethyl-2,11-diaza[3.3](2,6)pyridinophane, have been prepared and characterized by X-ray diffraction and electrochemical methods as well as by IR, H-1-NMR, EPR, and electronic absorption spectroscopy. Complex 1 crystallizes in monoclinic space group P2(1)/n (No. 14) with a = 16.940(4) Angstrom, b = 9.902(3) Angstrom, c = 21.936(8) Angstrom, beta = 108.21(2)degrees, V = 3495(2) Angstrom(3), and Z = 4, complex 2 in orthorhombic space group P2(1)2(1)2(1) (NO. 19) with a = 10.163(2) Angstrom, b = 13.351(3) Angstrom, c = 14.762(3) Angstrom, V = 2003(1) Angstrom(3) and Z = 4, and complex 3 in monoclinic space group P2(1)/c (No. 14) with a = 14.349(3) Angstrom, b = 14.040(5) Angstrom, c = 18.131(10) Angstrom, beta = 110.62(3)degrees, V = 3419(2) Angstrom(3) and Z = 4. In all these complexes a distorted cis-octahedral coordination geometry is found with the cis coordination sites occupied either by terminal chloro and/or oxo ligands. Thus, a rather unique series of mononuclear complexes has been established where, for example, in reaction with air consecutive replacements of both chloride ions by oxo donors increases the oxidation state of the six-coordinate vanadium ion from III over IV to V while the residual coordination environment remains preserved. Interestingly, in each complex the electronic properties of the cis donor atom set stabilize only one specific oxidation state of the vanadium ion in order to warrant the isolation of the complex.

  DOI：

  10.1021/ic9510730