| 556833-82-0

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• CAS: 556833-82-0
• 化学式: Ar*F*H₂O
• 分子量: 76.9617
• InChiKey: QEWPNUSQHDGBKM-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.82
• 重原子数：
  3.0
• 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：
  31.5
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  三氟化氮 、 水 、 氩 以 gas 为溶剂， 生成 、 、
  参考文献：
  名称：

  Vibrational spectroscopy of the F−·H2O complex via argon predissociation: photoinduced, intracluster proton transfer?

  摘要：

  The mid-IR vibrational spectrum of the strongly bound F-. H2O complex is reported via predissociation of the size-selected F-. H2O . Ar-m (m = 1-3) clusters. A weak, sharp band at 3690 cm(-1) confirms that this species adopts the asymmetric arrangement typical of the heavier halides, while the band arising from the ionic H-bond (IHB) is shifted very far to the red of the free H2O bands (shift similar to 800 cm(-1)). The observed band position is actually found in the region of the predicted 'overtone' of the H-bonded oscillator, where the OH stretching vibration occurs in a very strongly anharmonic O-H ... F- potential surface in which the first excited vibrational level samples the HF-OH- proton transfer configuration. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0009-2614(99)01257-9