| 191489-22-2

• CAS: 191489-22-2
• 化学式: HInO
• 分子量: 132.819
• InChiKey: XPHWZABCPRKTIK-DYCDLGHISA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.94
• 重原子数：
  2.0
• 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：
  20.23
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  indium(III) oxide 、 氘 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  The identification of InOH in the gas phase and determination of its geometric structure

  摘要：

  The first gas phase observation of the species InOH is reported through the detection of its electronic spectrum in the near ultraviolet region, between 345 and 377 nm. The molecule was generated by the high temperature reaction between H2O and In metal or between H2 and In2O3, and cooled in a free jet expansion. Two separate electronic transitions have been identified and are tentatively assigned as α1A′←X̃1A′ and β1A″←X̃1A′. Values for the vibrational wavenumbers ν2 (bending vibration) and ν3 (In–O stretching vibration) have been determined for InOH and InOD in all three electronic states involved. There is evidence that the molecule is quasilinear in its ground electronic state which somewhat complicates the values determined for ν2 in this state. Rotational structure was easily resolved at the lowest temperature achieved in this work (Trot≊12 K). Analysis of this structure shows that the molecule is bent in all of the electronic states studied, with a bond angle of about 132° in the X̃ state and about 105° in the α and β states.

  DOI：

  10.1063/1.466756