(69)gallacyclopentane | 138435-37-7

• 分子结构分类: 有机化合物
• 英文名称: (69)gallacyclopentane
• CAS: 138435-37-7
• 化学式: C₄H₈Ga
• 分子量: 125.108
• InChiKey: KMXVKYXGTUXBII-HCMAANCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.32
• 重原子数：
  5.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  乙烯 、 氢化镓 以 solid matrix 为溶剂， 生成 、 (69)gallacyclopentane
  参考文献：
  名称：

  对烃基中镓69原子与乙烯反应的EPR研究。

  摘要：

  The reaction of Ga-69 atoms with ethylene in adamantane on a rotating cryostat at 77 K has been studied by EPR spectroscopy. The major paramagnetic product is the Ga atom-ethylene pi-complex Ga-69[C2H4] that has the magnetic parameters \a(xx)(69)\ = 242 MHz, \a11(69)\ = 82 MHz, \a(yy)(69)\ = 100 MHz, g(xx) = 2.0031, g(zz) = 1.9807, and g(yy) = 2.0107 and has an unpaired spin population of approximately 0.56 in the Ga 4p(x) orbital. These parameters are almost identical to those of Ga-69[C2H4] in argon at 4 K and confirm that this complex has a 2B1 electronic ground state in the point group C2v. There is also a quartet of almost isotropic transitions in the spectrum with the parameters \a parallel-to (69)\ = 1669 MHz, \a perpendicular-to (69)\ = 1698 MHz, g parallel-to = 1.9955, and g perpendicular-to = 1.9839 that have been tentatively assigned to the cyclic sigma-bonded complex gallacyclopentane, activated GaCH2CH2CH2CH2.

  DOI：

  10.1021/j100182a039