n-butyl-d9-benzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: n-butyl-d9-benzene
• 英文别名: N-Butyl-D9-benzene；1,1,2,2,3,3,4,4,4-nonadeuteriobutylbenzene
• 化学式: C₁₀H₁₄
• 分子量: 143.15
• InChiKey: OCKPCBLVNKHBMX-AZOWHCDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  n-butyl-d9-benzene 生成 benzyl α-d2 radical
  参考文献：
  名称：

  Deuterium isotope effects on photodecomposition of alkylbenzenes

  摘要：

  Photodissociation of 11 alkylbenzenes (toluene, ethylbenzene, butylbenzene, and their deuterated compounds) have been studied by the ArF (193 nm) laser photolysis. Formation rate constants of benzyl radical were measured under collision free conditions. The major relaxation process of the photoexcited state is internal conversion to highly excited vibrational levels of the ground electronic state, i.e., hot alkylbenzene formation, followed by decomposition yielding benzyl radical. Deuterium isotope effects demonstrate that the bond fission occurs after intramolecular vibrational redistribution is complete.

  DOI：

  10.1063/1.452450

文献信息

• Deuterium isotope effects on photodecomposition of alkylbenzenes
  作者：Yoshizumi Kajii、Kinichi Obi、Ikuzo Tanaka、Noriaki Ikeda、Nobuaki Nakashima、Keitaro Yoshihara

  DOI：10.1063/1.452450

  日期：1987.6

  Photodissociation of 11 alkylbenzenes (toluene, ethylbenzene, butylbenzene, and their deuterated compounds) have been studied by the ArF (193 nm) laser photolysis. Formation rate constants of benzyl radical were measured under collision free conditions. The major relaxation process of the photoexcited state is internal conversion to highly excited vibrational levels of the ground electronic state, i.e., hot alkylbenzene formation, followed by decomposition yielding benzyl radical. Deuterium isotope effects demonstrate that the bond fission occurs after intramolecular vibrational redistribution is complete.