| 415897-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• CAS: 415897-16-4
• 化学式: C₂₅H₂₀CoN₈S
• 分子量: 523.547
• InChiKey: IZROTJASGRUXGB-UHFFFAOYSA-N

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：

  在 KH 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Modulating the Reduction Potential of Mononuclear Cobalt(II) Complexes via Selective Deprotonation of Tris[(2-benzimidazolyl)methyl]amine

  摘要：

  Remote site deprotonation of the coordinated tripodal ligand, tris((2-benzimidazolyl)methyl)amine, was examined using electronic spectroscopy and electrochemistry techniques. The solid-state structures [CoH(3)1(tba)(NCS)](+) and [CoH(2)1(tba)(NCS)] are reported. These complexes crystallized in the triclinic space group P (1) over bar [a = 13.3043(2) Angstrom, b = 13.8019(2) Angstrom, c = 14.1322(2) Angstrom, alpha = 63.6670(10)degrees, beta = 68.0590(10)degrees, gamma = 81.8960degrees; Z= 2] and the monoclinic space group P2(1)/n [a = 15.3530(9) Angstrom, b = 11.0645(6) Angstrom, c = 19.1319(10) Angstrom, beta = 105.6750(10)degrees; Z = 4], respectively. Preliminary results suggest that selective and reversible deprotonation of coordinated benzimidazolyl ligands can tune the reduction potential of several isostructural cobalt(II) complexes.

  DOI：

  10.1021/ic0155885
• 作为产物：
  描述：

  (Co(tris(2-benzimidazolylmethyl)amine)(NCS))BPh4 在 KH 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Modulating the Reduction Potential of Mononuclear Cobalt(II) Complexes via Selective Deprotonation of Tris[(2-benzimidazolyl)methyl]amine

  摘要：

  Remote site deprotonation of the coordinated tripodal ligand, tris((2-benzimidazolyl)methyl)amine, was examined using electronic spectroscopy and electrochemistry techniques. The solid-state structures [CoH(3)1(tba)(NCS)](+) and [CoH(2)1(tba)(NCS)] are reported. These complexes crystallized in the triclinic space group P (1) over bar [a = 13.3043(2) Angstrom, b = 13.8019(2) Angstrom, c = 14.1322(2) Angstrom, alpha = 63.6670(10)degrees, beta = 68.0590(10)degrees, gamma = 81.8960degrees; Z= 2] and the monoclinic space group P2(1)/n [a = 15.3530(9) Angstrom, b = 11.0645(6) Angstrom, c = 19.1319(10) Angstrom, beta = 105.6750(10)degrees; Z = 4], respectively. Preliminary results suggest that selective and reversible deprotonation of coordinated benzimidazolyl ligands can tune the reduction potential of several isostructural cobalt(II) complexes.

  DOI：

  10.1021/ic0155885