[Ni(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)](2+) | 114596-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: [Ni(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)](2+)
• 英文别名: 3,10-dimethyl-1,3,5,8,10,12-hexazacyclotetradecane;nickel(2+)
• CAS: 114596-05-3
• 化学式: C₁₀H₂₆N₆Ni
• 分子量: 289.047
• InChiKey: VGVVHDZKPAAVNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.95
• 重原子数：
  17
• 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：
  54.6
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [Ni(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)](2+) 在 水 作用下， 以 水 为溶剂， 生成 [Ni(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)(H2O)2](2+)
  参考文献：
  名称：

  Intramolecular hydrogen-bond formation in nickel(II) complexes with macrocyclic ligands containing non-co-ordinating nitrogen atom(s): new ditopic receptors differentiating hydrogensulfate and hydrogenphosphates

  摘要：

  A comparative study of a series of nickel(II) complexes with structurally related tetradentate 14-membered tetra-, penta- and hexa-aza macrocycles has shown that the non-co-ordinating (remote) nitrogen atoms in the ligand backbones drastically influence the solution equilibria between the four-and six-co-ordinated forms of the complexes. This phenomenon is interpreted in terms of the formation of intramolecular. along with co-ordinative, hydrogen bonds between the axial ligand and remote nitrogen. Such specific two-centred interactions result in relatively high formation constants of mono(hydrogensulfate) complexes [NiL(HSO4)(H2O)](+). For the tricyclic complex, with L = 1,3,6,9,11,14-hexaazatricyclo[l2.2.1.1(6,9)]octadecane, the formation of both mono- and bis-(hydrogensulfate) adducts has been detected with K-1 = 7 +/- 1 and K-2 = 36 +/- 5 dm(3) mol(-1), thus indicating the allosteric effect in this system. The high differentiating effect for hydrogensulfate versus hydrogenphosphates, which is especially evident for the tricyclic complex, has been established.

  DOI：

  10.1039/dt9950002633
• 作为产物：
  描述：

  Ni(1,8-dimethyl-1,3,6,8,10,13-hexaazacyclotetradecane)(CNS)2 以 二甲基亚砜 为溶剂， 生成 [Ni(3,10-dimethyl-1,3,5,8,10,12-hexaazacyclotetradecane)](2+)
  参考文献：
  名称：

  Suh, Myunghyun Paik; Kang, Shin-Geol, Inorganic Chemistry, 1988, vol. 27, p. 2544 - 2546

  摘要：

  DOI：

文献信息

• Properties of monovalent nickel complexes with tetraaza-macrocyclic ligands in aqueous solutions
  作者：Israel Zilbermann、Maya Winnik、Dalia Sagiv、Amira Rotman、Haim Cohen、Dan Meyerstein

  DOI：10.1016/0020-1693(96)83104-5

  日期：1995.12

  of the couples NiLi2+/NiLi+, L = tetraaza-14-membered-macrocyclic ligands, and on the properties of the monovalent nickel complexes in aqueous solutions are reported for 14 complexes. The spectra and lifetimes of the NiLi+ complexes are reported. The self-exchange rates for the couples NiLi2+/NiLi+ were determined. Two of the ligands were synthesized for the first time for this study. Cyclic voltammetry

  对于14种络合物，报道了N-烷基化对NiL i 2+ / NiL i +，L =四氮杂14元大环配体对的氧化还原电势的影响，以及对水溶液中一价镍络合物性质的影响。 。报告了NiL i +配合物的光谱和寿命。NiL i 2+ / NiL i +夫妇的自交换率被确定。本研究首次合成了两个配体。使用循环伏安法和脉冲放射分解法。结果表明：（i）N-烷基化总是将氧化还原电势转移到阴极电势较低的地方；这种作用在很大程度上是由于配体的N-烷基化引起的配合物溶剂化能的降低。（ii）。一价络合物的寿命与NiL i 2+ / NiL i +对的氧化还原电位没有线性关系。（iii）NiL i +配合物以几种异构形式存在；异构化的速率取决于配体的结构。（iv）NiL i +的不同异构体当复合NiL i 2+被不同的试剂还原时，可能会形成该化合物。因此，脉冲辐照形成的NiL i +络合物可能具有与电化学形成的性质不同的性质。