copper | 81543-63-7

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 各种混合金属/非金属
• 英文名称: copper
• CAS: 81543-63-7
• 化学式: Cu₇
• 分子量: 444.822
• InChiKey: CQWCRVFKKKLBBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.02
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  铜 以 环己烷 为溶剂， 生成 copper
  参考文献：
  名称：

  EPR spectrum of (trifluorophosphine)copper

  摘要：

  CuPF3 is formed from Cu atoms and PF3 on solid adamantane at 77 K in a rotating cryostat. It has the magnetic parameters a63 = 4205 +/- 10 MHz, a31 = 1100 +/- 10 MHz, a19 = 90 +/- 10 MHz, and g = 1.999 +/- 0.002, has a 2A1 electronic ground state in the point group C30, and can be considered to be a copper-centered radical and not a phosphoranyl formed by addition of a Cu atom to PF3. About 70% of the unpaired spin is located in the metal 4s orbital, 8% in the P 3s orbital, and 0.5% in the F 2s orbitals for a total unpaired spin s population of 78.5%. The remaining 21.5% of unpaired spin is probably located in the Cu 4p orbital. Cu3 is also formed in adamantane and does not appear to react with PF3. Cu7 rather than CuPF3 is formed in solid cyclohexane and is also unreactive toward PF3.

  DOI：

  10.1021/j100182a022