bromodifluoromethyl(1+) | 67000-50-4

• 分子结构分类: 无机化合物 - 均质非金属化合物
• 英文名称: bromodifluoromethyl(1+)
• 英文别名: bromo-difluoro-methylium；bromo(difluoro)methane
• CAS: 67000-50-4
• 化学式: CBrF₂
• 分子量: 129.912
• InChiKey: VOIGKKYJFWZREZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.77
• 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：

  二溴二氟甲烷 在 oxonium 作用下， 生成 bromodifluoromethyl(1+)
  参考文献：
  名称：

  Reactions of H₃O⁺ and H₂O⁺ with Several Fully Halogenated Bromomethanes

  摘要：

  The bimolecular rate coefficients and ion products for the reactions of H3O+ and H2O+ with the bromine-containing molecules CF3Br, CF2Br2, CF2BrCl, CFBr3, CFBr2Cl, and CBrCl3 at 300 K are reported. With the exception of the reactions of H3O+ with CF3Br and CF2BrCl, the rate coefficients are near the collisional values (k approximate to 10(-9) cm(3) molecule(-1) s(-1)). The most efficient exit pathway for the majority of the H3O+ reactions is the formation of a trihalomethyl cation, together with water and a hydrogen halide as the neutral products. In each case, more than one trihalomethyl cation can be formed. The branching ratios are largest for the products resulting from the breaking of a C-F bond. This is attributed to the high bond strength of HF relative to HCl and HBr. Similarly for CBrCl3, the major product cation is CCl2Br+. The H2O+ reactions are found to proceed predominantly via charge transfer. For the reaction of H2O+ with CF3Br there is clear evidence for intimate reaction pathways in which bonds are broken and formed.

  DOI：

  10.1021/jp9719624

文献信息

• Reactions of Ar⁺ with halocarbons and of I⁺ with CF₃I
  作者：Robert A. Morris、Jane M. Van Doren、A. A. Viggiano、John F. Paulson

  DOI：10.1063/1.463605

  日期：1992.7

  The gas phase reactions of Ar+ with the halocarbons CF3Cl, CF3Br, CF3I, CF4, C2F6, and C2F4 have been studied using a variable temperature-selected ion flow tube (VT-SIFT) instrument operated at 298 and 500 K. Rate constants and product branching percentages were measured at both temperatures. Ar+ reacts at the collisional rate with all of the above neutrals at both 298 and 500 K. The reactions with CF3X yield CF+3 and CF2X+ for all X (the reaction with CF4 produces only CF+3 ). For X=I, there is an additional channel leading to the ionic product I+. The reaction of Ar+ with C2F6 produces both CF+3 and C2F+5. The reaction of Ar+ with C2F4 forms a rich product spectrum consisting of the ions CF+, CF+2, CF+3, C2F+3, and C2F+4. The reaction product distributions are compared with results from ionization experiments such as photoion–photoelectron coincidence (PIPECO) and electron impact mass spectrometry, and in some cases excellent agreement is found. The reaction of I+ with CF3I, which is a secondary reaction in the Ar+/CF3I system, was investigated at 298 K in separate experiments. This reaction is rapid and forms four product ions: CF+3, CF2I+, CF3I+, and I+2. The results are compared with previously published information.
• Chemistry of H2O+ (oxoniumyl) with tetrafluoroethene, hexafluoroethane, and CF3X (X = F, Cl, Br, I)
  作者：Robert A. Morris、A. A. Viggiano、Jane M. Van Doren、John F. Paulson

  DOI：10.1021/j100186a050

  日期：1992.4

  The reactions of H2O+ with CF4, C2F6, C2F4, CF3Cl, CF3Br, and CF3I have been studied at 300 and 499 K. The measurements were conducted using a variable-temperature-selected ion flow tube apparatus. H2O+ reacts via charge transfer with C2F4 with rate constants equal to 1.4 x 10(-9) and 1.5 x 10(-9) cm3 s-1 at 300 and 499 K, respectively. The reactions with CF3X (X = Cl, Br, I) all proceed at the collision rate at 300 and 499 K within experimental uncertainty. The rate constants are in the range 1.6 x 10(-9)-2.1 x 10(-9) cm3 s-1. The reactions of H2O+ with CF3X produce CF3+ and CF2X+ for X = Cl, Br, I, CF2OH+ for X = Cl, Br, and CF3X+ for X = Br, I. The reaction with CF3Cl also forms the ionic product CF3OH2+. No reaction was observed between H2O+ and the reactant neutrals CF4 and C2F6; the rate constants are less than 5 x 10(-12) cm3 s-1 at 300 and 499 K. Upper limits to the heats of formation of CF2Cl+, CF2Br+, and CF2I+ have been derived from the data and are < 506, < 566, and < 624 kJ mol-1, respectively.
• Chemistry of CFn+ (n = 1-3) ions with halocarbons
  作者：Robert A. Morris、A. A. Viggiano、Jane M. Van Doren、John F. Paulson

  DOI：10.1021/j100185a038

  日期：1992.3

  The gas-phase reactions of CF+, CF2+, and CF3+ with the halocarbons CF3Cl, CF3Br, CF3I, CF4, and C2F6 have been studied using a variable-temperature-selected ion flow tube (VT-SIFT) instrument at 300 and 496 K. The ion CF+ reacts rapidly with CF3X (X = Cl, Br, I) producing the ions CF2X+. In the reaction of CF+ with CF3Cl, CF3+ is also produced as a minor product. Curvature was observed in the pseudo-first-order kinetics plots for the reactions of CF+ with CF4 and C2F6. In both cases the curvature is attributed to the presence of two or more CF+ states (probably vibrational) of differing reactivities toward the perfluorocarbon of interest. This conclusion is supported by our observation of charge transfer from CF+ to NO, a reaction which is endothermic by 15 kJ/mol for the ground state of CF+. CF+ is unreactive with O2, N2, and Xe. The reactions of CF2+ with CF3X yield CF3+ and CF2X+ for X = Cl and Br; for X = I, CF2I+ and CF3I+ are produced. The overall reactions proceed at approximately the collision rate at 300 and 496 K, and the branching ratios are not strongly dependent on temperature. The reactions of CF2+ with CF4 and C2F6 produce CF3+ and C2F5+, respectively. The rate constants decrease significantly with increasing temperature. CF2+ reacts rapidly by charge transfer with NO. The reaction of CF2+ with O2, producing CF2O+, is inefficient. CF2+ is unreactive with N2. CF3+ reacts with CF3X (X = Cl, Br, I) at rates below the collision values, producing a single ionic product, CF2X+. While the rate constants for the reactions of CF3+ with CF3X increase in the series with increasing CF3X mass, the rate constants for reaction with each CF3X decrease sharply with increasing temperature. A mechanism is proposed in which the reaction proceeds on a double-well potential energy surface. No reaction was observed for the CF3+/CF4 system. CF3+ appeared to react very slowly with C2F6 and NO, producing C2F5+ and NO+, respectively, but reactions with impurities in the neutral reagents cannot be ruled out as the source of these ions. CF3+ is unreactive with O2 and N2.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.D2, 3.6, page 74 - 74
  作者：

  DOI：——

  日期：——
• Dibeler, V. H.; Reese, R. M.; Mohler, F. L., Journal of Research of the National Bureau of Standards (United States), 1956, vol. 57, p. 113 - 118
  作者：Dibeler, V. H.、Reese, R. M.、Mohler, F. L.

  DOI：——

  日期：——