Deuterio thiohypofluorite | 119703-77-4

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• 英文名称: Deuterio thiohypofluorite
• CAS: 119703-77-4
• 化学式: FHS
• 分子量: 53.0644
• InChiKey: BHBIPLOIWQSVID-VMNATFBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  2
• 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：
  1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  sulfur deuteride 、 fluorine 以 gas 为溶剂， 生成 Deuterio thiohypofluorite
  参考文献：
  名称：

  巯基与溴，氯化溴，氯和氟反应的动力学和机理

  摘要：

  Motivated by the need to improve the understanding of radical-molecule reactivity, the rate constants for the reactions of the SD radical with an interhalogen series (Br2, BrCl, Cl2, and F2) were measured as a function of temperature with a discharge-flow apparatus. The SD radical was monitored by a laser-induced fluorescence technique. The reactions were found to proceed by halogen atom abstraction with the following bimolecular rate constants (95% confidence level, in units of cm3 molecule-1 s-1): SD + Br2 --> BrSD + Br, k1 = (6.0 +/- 1.5) x 10(-11) exp[(160 +/- 100)/T] for 273 K < T < 373 K; SD + BrCl --> products, k2 = (2.3 +/- 0.3) x 10(-11) exp[(350 +/- 80)/T] for 298 K < T < 373 K; SD + BrCl --> ClSD + Br, k2b = (2.3 +/- 2) x 10(-11) exp[(100 +/- 200)/T] for 298 K < T < 373 K; SD + Cl2 --> ClSD + Cl, k3 = (1.7 +/- 0.4) x 10(-11) exp[(-690 +/- 90)/T] for 273 K < T < 373 K; SD + F2 --> FSD + F, k4 = (4.3 +/- 1.4) x 10(-11) exp[(-1390 +/- 100)/T] for 298 K < T < 373 K. We examine these results within the framework of a reactivity trend that correlates the room-temperature rate constants with the parameter (IP - EA), where IP and EA represent the ionization potential of the electron density donating reactant and the electron affinity of the electron density acceptor, respectively. It was found that the trend fails for these and other halogen atom abstraction reactions unless a correction for the effects of polarizability is included.

  DOI：

  10.1021/j100161a041

文献信息

• Kinetics and mechanism of the reactions of the mercapto-d radical with bromine, bromine chloride, chlorine and fluorine
  作者：Frederick F. Fenter、James G. Anderson

  DOI：10.1021/j100161a041

  日期：1991.4

  Motivated by the need to improve the understanding of radical-molecule reactivity, the rate constants for the reactions of the SD radical with an interhalogen series (Br2, BrCl, Cl2, and F2) were measured as a function of temperature with a discharge-flow apparatus. The SD radical was monitored by a laser-induced fluorescence technique. The reactions were found to proceed by halogen atom abstraction with the following bimolecular rate constants (95% confidence level, in units of cm3 molecule-1 s-1): SD + Br2 --> BrSD + Br, k1 = (6.0 +/- 1.5) x 10(-11) exp[(160 +/- 100)/T] for 273 K < T < 373 K; SD + BrCl --> products, k2 = (2.3 +/- 0.3) x 10(-11) exp[(350 +/- 80)/T] for 298 K < T < 373 K; SD + BrCl --> ClSD + Br, k2b = (2.3 +/- 2) x 10(-11) exp[(100 +/- 200)/T] for 298 K < T < 373 K; SD + Cl2 --> ClSD + Cl, k3 = (1.7 +/- 0.4) x 10(-11) exp[(-690 +/- 90)/T] for 273 K < T < 373 K; SD + F2 --> FSD + F, k4 = (4.3 +/- 1.4) x 10(-11) exp[(-1390 +/- 100)/T] for 298 K < T < 373 K. We examine these results within the framework of a reactivity trend that correlates the room-temperature rate constants with the parameter (IP - EA), where IP and EA represent the ionization potential of the electron density donating reactant and the electron affinity of the electron density acceptor, respectively. It was found that the trend fails for these and other halogen atom abstraction reactions unless a correction for the effects of polarizability is included.