sulfur trifluoride | 30937-38-3

• 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: sulfur trifluoride
• CAS: 30937-38-3
• 化学式: F₃S
• 分子量: 89.0612
• InChiKey: PSCXEUSWZWRCMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.91
• 重原子数：
  4.0
• 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

• 作为产物：
  描述：

  五氟化锑 、 在 二氧化硫 作用下， 生成 sulfur trifluoride
  参考文献：
  名称：

  Kleemann, Gert; Seppelt, Konrad, Angewandte Chemie, 1981, vol. 93, # 12, p. 1096 - 1097

  摘要：

  DOI：

文献信息

• 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
• Rate constants and vibrational energy disposal for reaction of H atoms with Br₂, SF₅Br, PBr₃, SF₅, and SF₄
  作者：R. J. Malins、D. W. Setser

  DOI：10.1063/1.440043

  日期：1980.12

  Rate constants and initial HBr and HF product distributions for the title reactions were measured in a fast-flow apparatus using infrared chemiluminescence techniques. The spectra were interpreted using a new set of Einstein coefficients for HBr, which are listed in the Appendix. The rate constants for HBr(v⩾1) and HF(v⩾1) formation, relative to the H+Cl2 reaction, are 3.3, 0.39, 0.50, 3.4, and 0.003, for Br2, SF5Br, PBr3, SF5, and SF4, respectively. This directly measured Br2 rate constant supports the smaller values that have been estimated in the literature. The initial HBr vibrational distribution (v1:v2:v3:v4:v5=0.03:0.20:0.40:0.31:0.06) from H+Br2 corresponds to 〈fV〉=0.49. The observed HBr vibrational distributions (v1:v2:v3:v4) are 0.28:0.43:0.23:0.06 and 0.63:0.24:0.13 for SF5Br and PBr3, respectively. The SF5Br results are close to the initial distribution and give 〈fV〉=0.36. The low vapor pressure of PBr3 limited the [PBr3] and high [H] was required to observe HBr emission; correcting the observed distribution for vibrational relaxation gives 〈fV≅0.47. These 〈fV〉 values include estimates for HBr(v=0). Based upon the highest HBr level observed from SF5Br and PBr3, D0(Br–SF5)<55 and D0(Br–PBr2)<62 kcal mole−1. The HF vibrational distributions from SF5 and SF4 decline with increasing v, which suggests that these reactions proceed via a long-lived complex. For these cases the formation of HF(v=0) is important, and significant corrections must be made to the HF(v⩾1) formation constants to obtain the total HF formation rate constants. The rate constants and energy disposal data are used to discuss models and to compare the H+Br2 reaction to H+Cl2 and F2.
• Ion–molecule reactions of SF₆: Determination of I.P.(SF₅), A.P.(SF₅⁺/SF₆), and <i>D</i>(SF₅–F)
  作者：Lucia M. Babcock、Gerald E. Streit

  DOI：10.1063/1.440934

  日期：1981.5.15

  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.
• Dissociative and double photoionization of SF₆in the 75–125 eV region
  作者：Toshio Masuoka、James A. R. Samson

  DOI：10.1063/1.441882

  日期：1981.11.15

  Partial cross sections for the singly charged fragments [SFm+(m = 0–5)] and F+ and the doubly charged fragments [SFn2+(n = 0–4)] in SF6 have been measured using a time-of-flight mass spectrometer and synchrotron radiation in the 75–125 eV region. The mass spectrometer collected a constant fraction of all the fragments produced including energetic ones, thus providing true fragmentation yields. The relatively large production rate of double ionization is demonstrated.