trans-{CoCl2py4}(1+) | 19724-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: trans-{CoCl2py4}(1+)
• 英文别名: Cobalt(3+);pyridine;dichloride
• CAS: 19724-19-7
• 化学式: C₂₀H₂₀Cl₂CoN₄
• 分子量: 446.305
• InChiKey: NABUKJXXQLZMPN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.67
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  trans-{CoCl2py4}(1+) 以 水 、 叔丁醇 为溶剂， 生成
  参考文献：
  名称：

  Kinetics of the solvolysis of the trans-dichlorotetrapyridinecobalt(III) ion in water + t-butyl alcohol mixtures

  摘要：

  The investigation of the effect of solvent structure on the solvolysis of the trans-[Copy4Cl2]+ ion has been extended to water + co-solvent mixtures where the co-solvent, t-butyl alcohol, has a greater effect on the solvent structure than the co-solvents used earlier. A non-linear plot is found for log (rate constant) against reciprocal of dielectric constant, but the enthalpy, ΔH*, and the entropy, ΔS*, of activation exhibit extrema in the same composition region where the physical properties indicate that sharp changes in the structure of the solvent are occurring. The application of a free-energy cycle to the nearly complete separation of Co and Cl in the transition state shows that the influence of solvent structure on the complex ion is greater in the transition state than in the initial state: values for the free energy of transfer of the complex ion in the transition state from water into the mixture are calculated.

  DOI：

  10.1039/f19837902367

文献信息

• Kinetics of the solvolysis of the trans-dichlorotetrapyridinecobalt(III) ion in water + t-butyl alcohol mixtures
  作者：Christine N. Elgy、Cecil F. Wells

  DOI：10.1039/f19837902367

  日期：——

  The investigation of the effect of solvent structure on the solvolysis of the trans-[Copy4Cl2]+ ion has been extended to water + co-solvent mixtures where the co-solvent, t-butyl alcohol, has a greater effect on the solvent structure than the co-solvents used earlier. A non-linear plot is found for log (rate constant) against reciprocal of dielectric constant, but the enthalpy, ΔH*, and the entropy, ΔS*, of activation exhibit extrema in the same composition region where the physical properties indicate that sharp changes in the structure of the solvent are occurring. The application of a free-energy cycle to the nearly complete separation of Co and Cl in the transition state shows that the influence of solvent structure on the complex ion is greater in the transition state than in the initial state: values for the free energy of transfer of the complex ion in the transition state from water into the mixture are calculated.