| 19167-14-7

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物
• CAS: 19167-14-7
• 化学式: F₅S
• 分子量: 127.058
• InChiKey: BBHBVDUMTHMAQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  6.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  、 二氧化氮 以 gaseous matrix 为溶剂， 生成 sulfurpentafluoride
  参考文献：
  名称：

  Ion–molecule reactions of SF₆: Determination of I.P.(SF₅), A.P.(SF₅⁺/SF₆), and D(SF₅–F)

  摘要：

  SF6 reacts with CF3+ to produce SF5+ and CF4. Under conditions of large amounts of CF4, an equilibrium is established. From flowing afterglow data, not only is a forward rate constant kf = (2.5±0.2)×10−10 cm3 molecule−1 s−1 determined, but also an equilibrium constant of 5.9×103 (±50%) is deduced. Using this equilibrium constant and standard entropies for the various species, ΔH°298 = −0.17±0.02 eV is calculated. A thermochemical cycle then yields a value of A.P.(SF5+/SF6) = 14.62±0.09 eV. An examination of charge exchange reactions of SF5+ leads to establishment of the ionization potential of SF5 at 10.5±0.1 eV. Combining this with A.P.(SF5+/SF6) allows a calculation of the bond dissociation energy D°298(SF5–F) = 4.1±0.13 eV. In addition to these new values of A.P.(SF5+/SF6), I.P.(SF5), and D°298(SF5–F), the fragmentation pattern of SF6 reacting with He+ as well as rates of reaction of SF6 with several positive ions are reported.

  DOI：

  10.1063/1.440934
• 作为产物：
  描述：

  六氟化硫 在 N⁽¹⁺⁾ 作用下， 生成
  参考文献：
  名称：

  Energy dependences of reactions between some atomic ions and SF₆, and reevaluation of appearance potentials (SF⁺₅/SF₆) and D(SF₅–F)

  摘要：

  The reactions of Ar+, N+, and Kr+ with SF6 have been investigated using a selected ion flow drift tube in the energy regime from thermal to a few eV relative kinetic energy of the reactants, KEcm, and the reaction of Xe+ with SF6 from 2 to 5 eV, KEcm, SF+5 is the dominant ionic product in all cases with the exception of the endoergic Xe+ reaction, where SF+3 was observed to be the product ion, the rate coefficient increasing dramatically with KEcm. The reaction involving Ar+ and N+ are fast (k∼10−9 cm3 s−1) and vary only slightly with energy. In the case of Kr+ the 2P3/2 state reacts fast (k∼6×10−10 cm3 s−1), while the 2P1/2 state is about an order of magnitude less reactive. The finding of the Kr+ (2P3/2) reaction leads to values AP (SF+5/SF6) ≤14.0 eV and D(SF5–F)=3.83±0.1 eV.

  DOI：

  10.1063/1.452873

文献信息

• Experimental study of HCN+ and HNC+ ion chemistry
  作者：Simon Petrie、Colin G. Freeman、Michael Meot-Ner、Murray J. McEwan、Eldon E. Ferguson

  DOI：10.1021/ja00176a006

  日期：1990.9

  room temperature selected ion flow tube study of reactions of HCN + and HNC + . Electron impact on HCN was found to produce a mixture of HCN + and HNC + isomers. HCN + was found to be isomerized efficiently to HNC + by reaction with CO or with CO 2 , and isomerization is expected to occur for any other species M having a proton affinity PA(CN at C)

  我们报告了室温选择离子流管研究 HCN + 和 HNC + 反应的结果。发现对 HCN 的电子撞击会产生 HCN + 和 HNC + 异构体的混合物。发现 HCN + 通过与 CO 或与 CO 2 反应可有效异构化为 HNC + ，并且对于具有质子亲和力 PA(CN at C) 的任何其他物质 M 预计会发生异构化
• Fragmentation of valence electronic states of SF + 6 studied with synchrotron radiation
  作者：Jeremy C. Creasey、Ian R. Lambert、Richard P. Tuckett、Keith Codling、Leszek J. Frasinski、Paul A. Hatherly、Marek Stankiewicz

  DOI：10.1039/ft9918701287

  日期：——

  the appearance energy of a fragment ion occurs at the adiabatic ionisation potential of an electronic state of SF+6, and not at the lower-lying thermochemical energy of the fragment ion. Kinetic energy releases have been measured in SF+5, SF+4 and SF+3 at photon energies just above threshold for production of each ion. In the case of SF+5 a substantial fraction of the available energy is converted into

  SF + 6的七个价电子态的碎片化已通过光电离质谱法在440-810Å范围内进行了研究。对于SF离子产率+ 5示出了在接地（X的绝热电离能量两个阈值2 Ť 1克）和前两个激发态（Ã 2 Ť 1U和B 2 Ť 2U SF的）+ 6。SF + 4显示在SF + 6，SF + 3的第三状态（C 2 E g）处的阈值在第四状态和合适状态（D 2 T 2g和E 2 T 1u）显示两个阈值，并且在第六状态（F 2 A 1g）打开SF + 2。因此，在所有情况下，碎片离子的出现能都在电子状态为SF + 6的绝热电离电势下发生，而不是在碎片离子的较低热化学能下发生。在SF + 5，SF + 4和SF + 3中在光子能量刚好高于每个离子产生阈值的情况下测量了动能释放。如果是SF +在图5中，可利用能量的很大一部分被转换成片段的翻译能。将SF + 5，SF + 4和SF + 3的相对光电离产率与从SF + 6
• Thermal Energy Charge-Transfer Reactions of Ar⁺ and Ar₂⁺
  作者：R. J. Shul、B. L. Upschulte、R. Passarella、R. G. Keesee、A. W. Castleman

  DOI：10.1021/j100294a022

  日期：1987.5.1
• Anisotropy of fragment ions from SF6 by photoexcitation between 23 and 210 eV
  作者：Masaki Ono、Koichiro Mitsuke

  DOI：10.1016/s0009-2614(02)01625-1

  日期：2002.12

  The anisotropy of the ionic photofragments produced from SF6 has been measured using synchrotron radiation in the range of 23-210 eV. Despite the highly symmetrical molecule a strong anisotropy is observed below similar to35 eV. The behavior of the asymmetry parameter involving all the fragment ions has been interpreted by simulation using partial oscillator strengths for the formation of individual species. Only SF5+ ions produced via superexcited states of valence type are assumed to have an anisotropic angular distribution. The observed decrease in the asymmetry parameter with increasing photon energy can be ascribed to the dominance of direct photoionization and the decrease in the branching ratio for SF5+ formation. (C) 2002 Elsevier Science B.V. All rights reserved.
• Ferguson, E. E., Journal of Chemical Physics, 1991, vol. 95, p. 7344 - 7347
  作者：Ferguson, E. E.

  DOI：——

  日期：——