乙炔 | 645337-87-7

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 中文名称: 乙炔
• 英文名称: acetylene
• 英文别名: Ethynyl(hydrido)krypton；ethynyl(hydrido)krypton
• CAS: 645337-87-7
• 化学式: C₂H₂Kr
• 分子量: 109.838
• InChiKey: LFZTXEJNENNXOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.14
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  氪气 、 乙炔 以 solid matrix 为溶剂， 生成 乙炔
  参考文献：
  名称：

  A Gate to Organokrypton Chemistry:  HKrCCH

  摘要：

  An organic molecule containing krypton, HKrCCH, is reported. The preparation of HKrCCH includes 193-nm photolysis of H2C2/Kr solid mixtures at 8 K and subsequent thermal mobilization of hydrogen atoms at >/=30 K. The identification is based on infrared absorption spectroscopy and supported by ab initio calculations which show ionic and covalent contributions to the bonding. We believe that a series of similar organokrypton molecules can be prepared as computationally demonstrated for HKrC4H and HKrC3H3. These results feature a generally novel way for activating chemically the H-CC- group, which can find practical applications of the krypton catalysis.

  DOI：

  10.1021/ja0355269

文献信息

• A Gate to Organokrypton Chemistry:  HKrCCH
  作者：Leonid Khriachtchev、Hanna Tanskanen、Arik Cohen、R. Benny Gerber、Jan Lundell、Mika Pettersson、Harri Kiljunen、Markku Räsänen

  DOI：10.1021/ja0355269

  日期：2003.6.1

  An organic molecule containing krypton, HKrCCH, is reported. The preparation of HKrCCH includes 193-nm photolysis of H2C2/Kr solid mixtures at 8 K and subsequent thermal mobilization of hydrogen atoms at >/=30 K. The identification is based on infrared absorption spectroscopy and supported by ab initio calculations which show ionic and covalent contributions to the bonding. We believe that a series of similar organokrypton molecules can be prepared as computationally demonstrated for HKrC4H and HKrC3H3. These results feature a generally novel way for activating chemically the H-CC- group, which can find practical applications of the krypton catalysis.