Trioxo manganese chloride | 15605-27-3

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: Trioxo manganese chloride
• 英文别名: MnO3Cl
• CAS: 15605-27-3
• 化学式: ClMnO₃
• 分子量: 138.389
• InChiKey: MVRVNUFCGAKDNC-UHFFFAOYSA-M

物化性质

• 熔点：
  -130 °C (approx)

计算性质

• 辛醇/水分配系数(LogP)：
  0.33
• 重原子数：
  5.0
• 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：
  51.21
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  Trioxo manganese chloride 以 neat (no solvent) 为溶剂， 生成 manganese(IV) oxide 、 二氧化氯
  参考文献：
  名称：

  Kuemmell; Wobig, Zeitschrift fur Elektrochemie, 1909, vol. 15, p. 252 - 252

  摘要：

  DOI：
• 作为产物：
  描述：

  氯磺酸 、 potassium permanganate 以 氯磺酸 为溶剂， 以60%的产率得到Trioxo manganese chloride
  参考文献：
  名称：

  MnO3Cl，分离和晶体结构

  摘要：

  MnO3Cl 由 KMnO4 和 ClSO3H 制备。热极不稳定的化合物通过其拉曼光谱和单晶结构测定确定：a = 715.4 (5)，b = 1008.3 (7)，c = 500.9 (4) pm，空间群 Cmc21。固体 MnO3Cl 由仅具有弱分子间相互作用的分子组成。M-Cl 键长为 209.9 (4) pm。将晶体结构与 MnO3F、CrO2Cl2 和 ReO3Cl 的晶体结构进行比较，本文还提交了它们的 X 射线晶体结构测定。

  DOI：

  10.1002/zaac.200600186
• 作为试剂：
  描述：

  2,3-二甲基-2-丁烯 在 Trioxo manganese chloride 作用下， 以 various solvent(s) 为溶剂， 生成 2,3-二甲基-2,3-环氧丁烷 、 频哪酮 、 频哪醇
  参考文献：
  名称：

  The Reaction of Permanganyl Chloride with Olefins: Intermediates and Mechanism as Derived from Matrix-Isolation Studies and Density Functional Theory Calculations

  摘要：

  Density functional theory (DFT) calculations predict that the [2+3] addition of tetramethylethylene (TME) to the MnO2 moiety of MnO3Cl is thermodynamically favoured over [2+1] addition (epoxidation), while the kinetic barriers for both reactions are of comparable height. However, in an experimental investigation of the TME/MnO3Cl system by means of matrix-isolation techniques, selective formation of the epoxidation product [ClO2Mn(O[C(CH3)(2)](2))] (1) was observed. Compound 1 was characterised by IR spectroscopy with the aid of isotopic-enrichment experiments in combination with DFT frequency calculations. This result, at first sight surprising, is supported by studies in solution, and, even with the numerically equal energy barriers suggested by the calculations, it can be rationalised in terms of the much broader reaction channel leading to epoxidation as opposed to the much more narrow approach path for formation of the glycolate.

  DOI：

  10.1002/1521-3765(20011105)7:21<4674::aid-chem4674>3.0.co;2-l

文献信息

• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cl: MVol., 1, page 5 - 7
  作者：

  DOI：——

  日期：——
• Reactions of permanganyl chloride with allene in low-temperature matrices
  作者：Marcus Brandt、Christian Limberg

  DOI：10.1016/j.ica.2007.03.019

  日期：2008.1

  The light-induced (546 nm) reaction of MnO3Cl With allene has been investigated in low-temperature argon matrices at I I K. IR spectroscopic studies in combination with isotopic enrichment experiments (O-18, D) and DFT calculations (B3LYP/LanL2DZ) allowed the identification of (O=)(2)MnCl(O=CCH2CH2) (1), and (O=)(2)MnCl(H2COCCH2) (2) as the products. Possible ways for their formation are first of all discussed qualitatively in the context of the literature available, and then quantitatively with the background of DFT data (B3LYP/6-311G(d)) obtained for starting materials, products, transition states and intermediates. The most reasonable interpretation involves two-state reactivity. (c) 2007 Elsevier B.V. All rights reserved.