((chloro-l2-germyl)oxy)(oxo)chromium(IV) chloride | 1041404-44-7

• 分子结构分类: 无机化合物 - 混合金属/非金属化合物
• 英文名称: ((chloro-l2-germyl)oxy)(oxo)chromium(IV) chloride
• CAS: 1041404-44-7
• 化学式: Cl₂CrGeH₂O₂
• 分子量: 229.507
• InChiKey: DJKSYYYXSZLJFM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.27
• 重原子数：
  6.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  二氯氧化铬 、 germane 以 gaseous matrix 为溶剂， 生成 chromyl chloride 、 ((chloro-l2-germyl)oxy)(oxo)chromium(IV) chloride 、 germayloxy(oxo)chromium(V) chloride
  参考文献：
  名称：

  Matrix isolation and computational study of the thermal and photochemical reactions of CrCl2O2 with GeH4, AsH3 and SeH2

  摘要：

  Matrix isolation has been combined with infrared spectroscopy and theoretical calculations to study intermediates formed in the thermal and photochemical reactions of CrCl2O2 with GeH4, AsH3 and H2Se in argon matrices. Photochemical reactions occurred for all 3 systems with light of lambda > 300 nm, leading to multiple products with GeH4 and AsH3. For GeH4, O atom insertion into a Ge-H bond to form H3GeOH complexed to CrCl2O was observed, along with a novel product arising from H-2 elimination, H2ClGe-O-CrCl2O. With AsH3, insertion to form the H2AsOH-CrCl2O complex was observed, along with valence expansion and O atom addition to form the H3AsO-CrCl2O complex. Product identification came through comparison to theoretical calculations at the BRYP/6-311++g(d,2p) level, and through isotopic labeling for the arsenic system. Band intensities and product yields were sufficiently low with H2Se that only HSeOH-CrCl2O could be tentatively identified. Trends for O atom insertion versus O atom addition via valence expansion were explored. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.chemphys.2008.03.013