copper(II) imidazole | 79231-65-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: copper(II) imidazole
• CAS: 79231-65-5
• 化学式: C₁₂H₁₆CuN₈
• 分子量: 345.259
• InChiKey: QFROGKZDODECDS-SBTUQUCYSA-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

• 作为产物：
  描述：

  铜 、 咪唑-15N2 在 phosphate buffer 作用下， 以 水 、 甘油 为溶剂， 生成 copper(II) imidazole
  参考文献：
  名称：

  Electron–nuclear double resonance on copper (II) tetraimidazole

  摘要：

  We have investigated the electron–nuclear double resonance (ENDOR) from frozen aqueous solutions of 65Cu++(imidazole)4, 65Cu++ (imidazole–15N)4, and 65Cu++(imidazole–Dn)4, where n = 1, 2, 3, and 4 for selectively deuterated imidazole. We have observed ENDOR associated with the imidazole protons and the two imidazole nitrogens. The selective deuteration has allowed us to attempt identification of the weakly coupled protons responsible for the ENDOR spectrum, and a comparison of the overall line shape of that spectrum taken at two extreme points of the EPR spectrum suggests that some of the imidazole planes are tilted with respect to the plane of the complex. The ENDOR arising from the nitrogen nearest the copper is primarily isotropic with A(g⊥) = 41.6±1.5 MHz and A(g∥) = 39.8±1.5 MHz. The resonance shows little structure and seems consistent with a picture that requires some inequivalence among the various imidazoles. The remote nitrogen ENDOR reveals both hyperfine and quadrupole effects with approximately isotropic A(14N) = 1.79 MHz, Qz′z′?0.360 MHz, and Qx′x′y′x′?0.349 MHz. These values are in agreement with the results of the nuclear modulation effect [J. Chem. Phys. 69, 4921 (1978)]. The values for the quadrupole constants are thought to be accurate within 10% and are the same as are found in free imidazole. It is also demonstrated that, in this instance, ENDOR and the nuclear modulation effect are complementary in that they have each provided different parts of the same hyperfine spectrum.

  DOI：

  10.1063/1.442313