1,1-difluoroethylene-Ar | 259823-60-4

• 分子结构分类: 有机化合物
• 英文名称: 1,1-difluoroethylene-Ar
• CAS: 259823-60-4
• 化学式: Ar*C₂H₂F₂
• 分子量: 103.983
• InChiKey: PZTSCLGLQREZAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 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：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  偏氟乙烯 、 氩 以 neat (no solvent) 为溶剂， 生成 1,1-difluoroethylene-Ar
  参考文献：
  名称：

  Rotational spectra and structures of van der Waals dimers of Ar with a series of fluorocarbons: Ar⋅⋅⋅CH₂CHF, Ar⋅⋅⋅CH₂CF₂, and Ar⋅⋅⋅CHFCF₂

  摘要：

  Rotational spectra of van der Waals dimers between an argon atom and CH2CHF, CH2CF2, and CHFCF2 have been obtained by pulsed-supersonic nozzle Fourier transform microwave spectroscopy. Analysis of the derived spectroscopic constants shows that the dimers have structures such that for CH2CHF, CH2CF2, and CHFCF2 the Ar atom is positioned over the FCCH, FCF, and FCCF atomic chains with Ar-molecular center-of-mass distances of 3.62 Å, 3.51 Å, and 3.56 Å, and angles between the Ar–cm axis and molecular planes of 48.2°, 72.9°, and 60.5°, respectively. Structures for the three dimers are also predicted with a simple multisite model which describes the anisotropy of the dispersive interaction; both the Ar acceptor site and the atom–atom distances are satisfactorily reproduced.

  DOI：

  10.1063/1.460987