chloryl chloride | 117489-73-3

• 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: chloryl chloride
• 英文别名: Chloric acid chloride
• CAS: 117489-73-3
• 化学式: Cl₂O₂
• 分子量: 102.905
• InChiKey: GXIWMALOYDSQMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  chloryl chloride 以 solid matrix 为溶剂， 生成 氧气 、 氯
  参考文献：
  名称：

  Jacobs, Jürgen; Kronberg, Marc; Müller, Holger S. P., Journal of the American Chemical Society, 1994, vol. 116, # 3, p. 1106 - 1114

  摘要：

  DOI：
• 作为产物：
  描述：

  三氟化氯 在 NaClO₃ 、 HCl 作用下， 以 neat (no solvent, gas phase) 为溶剂， 生成 chloryl chloride
  参考文献：
  名称：

  Submillimeter Spectrum and Structure of Chloryl Chloride, ClClO₂

  摘要：

  The submillimeter spectrum of ClClO2 has been observed between 365 and 398 GHz in a flowing system as a product of the FClO2 + HCl reaction. Absorptions of three isotopomers, (ClClO2)-Cl-35-Cl-35, (ClClO2)-Cl-37-Cl-35, and (ClClO2)-Cl-35-Cl-37, have been assigned. Rotational and centrifugal distortion constants have been determined and structural parameters derived. The data are compared with those from a matrix-isolation study, ab initio calculations, and related molecules.

  DOI：

  10.1021/jp970440l

文献信息

• Photochemistry of Chlorine Dioxide in Polycrystalline Ice (<i>T</i> = 140−185 K):  Production of Chloryl Chloride, Cl−(OClO)
  作者：Christopher J. Pursell、Jay Conyers、Carilee Denison

  DOI：10.1021/jp961341v

  日期：1996.1.1

  The photochemistry of chlorine dioxide, OClO, in polycrystalline ice has been investigated at T = 140−185 K using FTIR and UV−vis spectroscopy. Photolysis with ultraviolet light at 360 nm produced chloryl chloride, Cl−(OClO). The unique vibrational bands at 1210, 1040, 520 and 430 cm-1, along with the characteristic UV absorptions at 300 and 235 nm, were used for definitive assignment of the photochemical

  已使用FTIR和UV-vis光谱在T = 140-185 K的条件下研究了多晶冰中二氧化氯OClO的光化学性质。在360 nm的紫外线下光解产生了氯酰氯Cl-（OClO）。在1210、1040、520和430 cm -1处的独特振动带以及在300和235 nm处的特征性UV吸收被用于光化学产物的明确分配。提出的形成Cl-（OClO）的机理涉及OClO光解为Cl + O 2然后将Cl迁移到未光解的OClO中。尽管OClO的聚集可能在产物的形成中起作用，但实验证据表明，OClO倾向于以被水溶剂化的单体的形式存在。这些结果可能对平流层臭氧的损失具有潜在的影响：在极平流层极冰颗粒上存在的非常稀薄的条件下，OClO的光化学转化为Cl + O 2会代表臭氧消耗的Cl原子的新来源。
• Müller, Holger S. P.; Willner, Helge, Inorganic Chemistry, 1992, vol. 31, # 12, p. 2527 - 2534
  作者：Müller, Holger S. P.、Willner, Helge

  DOI：——

  日期：——
• The rotational spectrum of chloryl chloride, ClClO2, in its ground vibrational state
  作者：Holger S. P. Müller、Edward A. Cohen、Dines Christen

  DOI：10.1063/1.479179

  日期：1999.6.22

  Rotational spectra of the four main isotopomers of ClClO2 which together span the quantum numbers 10⩽J⩽77 and 0⩽Ka⩽34 have been studied in selected regions between 10 and 417 GHz. The in situ syntheses using reactions between FClO2 and either HCl or BCl3 are described. Rotational and centrifugal distortion constants have been derived and used for structure and harmonic force field calculations. The quadrupole coupling constants for both Cl nuclei have been determined and the molecular dipole moment has been derived from low field Stark effect measurements in the submillimeter region. The results are discussed in relationship to published results from a matrix-isolation study, from theoretical calculations, and from studies of related molecules.
• Mueller, Holger S. P.; Willner, Helge, Berichte der Bunsen-Gesellschaft, 1992, vol. 96, # 3, p. 427 - 431
  作者：Mueller, Holger S. P.、Willner, Helge

  DOI：——

  日期：——