bismuth;1,4,7,10-tetrazacyclododecane;triperchlorate;hydrate | 188713-30-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: bismuth;1,4,7,10-tetrazacyclododecane;triperchlorate;hydrate
• CAS: 188713-30-6
• 化学式: C₈H₂₂BiCl₃N₄O₁₃
• 分子量: 697.621
• InChiKey: CWWJMPSWFAPKTR-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  -17.12
• 重原子数：
  29
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  272
• 氢给体数：
  5
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  高氯酸 、 bismuth(III) oxide 、 轮环藤宁 在 Na₂CO₃ 作用下， 以 高氯酸 为溶剂， 生成 bismuth;1,4,7,10-tetrazacyclododecane;triperchlorate;hydrate
  参考文献：
  名称：

  Synthesis, stability and structure of the complex of bismuth(III) with the nitrogen-donor macrocycle 1,4,7,10-tetraazacyclododecane. The role of the lone pair on bismuth(III) and lead(II) in determining co-ordination geometry

  摘要：

  The complex [Bi(cyclen)(H 2 O)(ClO 4 ) 3 ] (cyclen = 1,4,7,10-tetraazacyclododecane) has been synthesized and its crystal structure determined. The Bi has square-antiprismatic co-ordination to the four nitrogens of cyclen (mean Bi–N 2.39 Å) with the upper square being provided by one oxygen from each of the three perchlorates and a water molecule (mean Bi–O 2.77 Å). The formation constant (log K 1 ) of Bi III with cyclen has been determined as 23.45 at I = 0.5 mol dm -3 and 25 °C by differential pulse polarography in an out-of-cell technique, where equilibration was slow and required 6 months. This is a high log K 1 value for a complex with cyclen, in accord with predictions made of the high affinity that Bi III would have for polyamines on the basis of a model of acid–base interactions in aqueous solution. The structures of some complexes of Bi III and the isoelectronic Pb II were analysed in terms of the effect that the lone pair of electrons has on the M–L bond length (M = Bi or Pb, L = ligand donor atom). A relationship was found between the M–L bond length and the distance of L from the lone pair as quantified by the l.p.–M–L (l.p. = lone pair) angle, with M–L decreasing as l.p.–M–L increases. This observation is rationalized in terms of an analogy with the linear co-ordination geometry found in many complexes of Hg II , where the lone pair on Bi III or Pb II occupies one of the two co-ordination sites in the analogous linear two-co-ordinate mercury(II) complex.

  DOI：

  10.1039/a605068i